NP-MRD: Showing NP-Card for n-[2-(diethylamino)ethyl]-2-(ethoxycarbonyl)-2-phenylbutanimidic acid (NP0288680)

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Record Information

Version

2.0

Created at

2022-09-09 18:29:06 UTC

Updated at

2022-09-09 18:29:06 UTC

NP-MRD ID

NP0288680

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n-[2-(diethylamino)ethyl]-2-(ethoxycarbonyl)-2-phenylbutanimidic acid

Description

Fenalamide belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids. n-[2-(diethylamino)ethyl]-2-(ethoxycarbonyl)-2-phenylbutanimidic acid is found in Streptomyces albospinus. n-[2-(diethylamino)ethyl]-2-(ethoxycarbonyl)-2-phenylbutanimidic acid was first documented in 1969 (PMID: 5806515). Based on a literature review very few articles have been published on Fenalamide.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 54 54  0  0  0  0  0  0  0  0999 V2000
   -3.2356    3.6177   -0.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8146    3.2054   -1.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552    1.9857   -0.3817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2418    0.8134   -0.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1741    0.8390   -1.4863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8843   -0.4013    0.1311 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0774   -0.0890    1.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4830    0.2945    1.9542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3968   -0.6121   -0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0968   -1.7852    0.5299 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2470    0.2848   -0.6107 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    0.3698   -0.8950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5220   -0.2831    0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8849   -0.1173   -0.2464 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8047   -0.7277    0.6712 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8562   -0.0670    2.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2654    1.1365   -0.7569 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7396    1.2787   -1.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6587   -1.5901   -0.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1866   -2.4228    0.7142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9224   -3.5490    0.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1566   -3.8823   -0.9446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6273   -3.0482   -1.9053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8920   -1.9228   -1.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9510    3.0450   -1.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4799    3.3958    0.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3757    4.7187   -0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6254    3.0862   -2.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1257    3.9567   -0.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6533   -0.8911    2.2474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4061    0.7980    1.7976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5856    1.4117    1.9181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2513   -0.0922    1.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7577   -0.0821    2.9803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3168   -2.1357    1.3745 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8665    1.4551   -1.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8334   -0.0634   -1.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2884    0.0594    1.1516 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2884   -1.3748    0.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4678   -1.7760    0.8266 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8040   -0.8016    0.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3092    0.9106    2.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9163    0.0568    2.3873 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3707   -0.6846    2.8284 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7109    1.3678   -1.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9868    1.9416   -0.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3240    1.4524   -0.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8622    2.2103   -1.6388 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1561    0.4585   -1.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0694   -2.2636    1.7759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3354   -4.1982    1.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7242   -4.7504   -1.2164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7857   -3.2703   -2.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4768   -1.2679   -2.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  6  4  1  6
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
  6 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  0
  2 29  1  0
  7 30  1  0
  7 31  1  0
  8 32  1  0
  8 33  1  0
  8 34  1  0
 10 35  1  0
 12 36  1  0
 12 37  1  0
 13 38  1  0
 13 39  1  0
 15 40  1  0
 15 41  1  0
 16 42  1  0
 16 43  1  0
 16 44  1  0
 17 45  1  0
 17 46  1  0
 18 47  1  0
 18 48  1  0
 18 49  1  0
 20 50  1  0
 21 51  1  0
 22 52  1  0
 23 53  1  0
 24 54  1  0
M  END


  Mrv1652309092220292D          

 24 24  0  0  0  0            999 V2000
    0.3316    2.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3316    1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    1.0461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3316   -0.1914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480   -0.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -1.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -0.1914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039   -3.0789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039   -3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184   -4.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184   -2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730    1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4105    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  4  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 19 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0288680

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCOC(=O)C(CC)(C(O)=NCCN(CC)CC)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C19H30N2O3/c1-5-19(18(23)24-8-4,16-12-10-9-11-13-16)17(22)20-14-15-21(6-2)7-3/h9-13H,5-8,14-15H2,1-4H3,(H,20,22)

> <INCHI_KEY>
RMQKPRRJSKFBRU-UHFFFAOYSA-N

> <FORMULA>
C19H30N2O3

> <MOLECULAR_WEIGHT>
334.46

> <EXACT_MASS>
334.225642834

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
54

> <JCHEM_AVERAGE_POLARIZABILITY>
38.07310653816827

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-[2-(diethylamino)ethyl]-2-(ethyl carboxy)-2-phenylbutanimidic acid

> <JCHEM_LOGP>
1.158670954534291

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-4.910933861845881

> <JCHEM_PKA_STRONGEST_BASIC>
12.474092841799408

> <JCHEM_POLAR_SURFACE_AREA>
62.13

> <JCHEM_REFRACTIVITY>
97.03390000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
N-[2-(diethylamino)ethyl]-2-(ethyl carboxy)-2-phenylbutanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0       0.619   4.263   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.619   2.723   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       1.953   1.953   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       1.953   0.413   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       0.619  -0.357   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       3.286  -0.357   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.516  -1.691   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.286  -3.025   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.620  -1.127   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       5.954  -0.357   0.000  0.00  0.00           O+0
HETATM   11  N   UNK     0       4.620  -2.667   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       5.954  -3.437   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.954  -4.977   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       7.287  -5.747   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       7.287  -7.287   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.621  -8.057   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.621  -4.977   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.955  -5.747   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.056   0.976   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.286   2.310   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.056   3.644   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.596   3.644   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.366   2.310   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.596   0.976   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    9   19                                             
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    6   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   17                                                  
CONECT   15   14   16                                                       
CONECT   16   15                                                            
CONECT   17   14   18                                                       
CONECT   18   17                                                            
CONECT   19    6   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   19                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   48    0
END

View in JSmol

Synonyms

Value	Source
Fenalamide monohydrobromide	MeSH

Chemical Formula

C₁₉H₃₀N₂O₃

Average Mass

334.4600 Da

Monoisotopic Mass

334.22564 Da

IUPAC Name

N-[2-(diethylamino)ethyl]-2-(ethyl carboxy)-2-phenylbutanimidic acid

Traditional Name

N-[2-(diethylamino)ethyl]-2-(ethyl carboxy)-2-phenylbutanimidic acid

CAS Registry Number

Not Available

SMILES

CCOC(=O)C(CC)(C(O)=NCCN(CC)CC)C1=CC=CC=C1

InChI Identifier

InChI=1S/C19H30N2O3/c1-5-19(18(23)24-8-4,16-12-10-9-11-13-16)17(22)20-14-15-21(6-2)7-3/h9-13H,5-8,14-15H2,1-4H3,(H,20,22)

InChI Key

RMQKPRRJSKFBRU-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Streptomyces albospinus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Phenylacetamides

Direct Parent

Phenylacetamides

Alternative Parents

Substituents

Phenylacetamide
Phenylpropane
Fatty acid ester
Fatty amide
N-acyl-amine
Fatty acyl
Amino acid or derivatives
Carboxamide group
Carboxylic acid ester
Secondary carboxylic acid amide
Tertiary amine
Tertiary aliphatic amine
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organonitrogen compound
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Organooxygen compound
Organic oxide
Carbonyl group
Amine
Hydrocarbon derivative
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	1.16	ChemAxon
pKa (Strongest Acidic)	-4.9	ChemAxon
pKa (Strongest Basic)	12.47	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	62.13 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	97.03 m³·mol⁻¹	ChemAxon
Polarizability	38.07 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

19480

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

20683

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Cometti A, Gallo GG, Rimorini N: [Gas chromatographic findings on the impurities of fenalamide and determination of their structure]. Farmaco Prat. 1969 May;24(5):292-303. [PubMed:5806515 ]
LOTUS database [Link]

Showing NP-Card for n-[2-(diethylamino)ethyl]-2-(ethoxycarbonyl)-2-phenylbutanimidic acid (NP0288680)

MOL for NP0288680 (n-[2-(diethylamino)ethyl]-2-(ethoxycarbonyl)-2-phenylbutanimidic acid)

3D MOL for NP0288680 (n-[2-(diethylamino)ethyl]-2-(ethoxycarbonyl)-2-phenylbutanimidic acid)

3D SDF for NP0288680 (n-[2-(diethylamino)ethyl]-2-(ethoxycarbonyl)-2-phenylbutanimidic acid)

3D-SDF for NP0288680 (n-[2-(diethylamino)ethyl]-2-(ethoxycarbonyl)-2-phenylbutanimidic acid)

PDB for NP0288680 (n-[2-(diethylamino)ethyl]-2-(ethoxycarbonyl)-2-phenylbutanimidic acid)

3D PDB for NP0288680 (n-[2-(diethylamino)ethyl]-2-(ethoxycarbonyl)-2-phenylbutanimidic acid)

SMILES for NP0288680 (n-[2-(diethylamino)ethyl]-2-(ethoxycarbonyl)-2-phenylbutanimidic acid)

INCHI for NP0288680 (n-[2-(diethylamino)ethyl]-2-(ethoxycarbonyl)-2-phenylbutanimidic acid)

Structure for NP0288680 (n-[2-(diethylamino)ethyl]-2-(ethoxycarbonyl)-2-phenylbutanimidic acid)

3D Structure for NP0288680 (n-[2-(diethylamino)ethyl]-2-(ethoxycarbonyl)-2-phenylbutanimidic acid)