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Showing NP-Card for Acetamide (NP0000868)

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Record Information
Version2.0
Created at2012-09-11 17:44:37 UTC
Updated at2025-07-16 00:03:48 UTC
NP-MRD IDNP0000868
Natural Product DOIhttps://doi.org/10.57994/4317
Secondary Accession NumbersNone
Natural Product Identification
Common NameAcetamide
DescriptionAcetamide is found in red beetroot. Acetamide (or acetic acid amide or ethanamide), CH3CONH2, the amide of acetic acid, is a white crystalline solid in pure form. It is produced by dehydrating ammonium acetate
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0000868 (Acetamide)

Not Available

3D MOL for NP0000868 (Acetamide)

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3D SDF for NP0000868 (Acetamide)

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3D-SDF for NP0000868 (Acetamide)

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PDB for NP0000868 (Acetamide)

Not Available

3D PDB for NP0000868 (Acetamide)

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SMILES for NP0000868 (Acetamide)

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INCHI for NP0000868 (Acetamide)

Not Available
View in JSmol
Synonyms
ValueSource
AcetamidChEBI
Acetic acid amideChEBI
AzetamidChEBI
CH3CONH2ChEBI
EssigsaeureamidChEBI
EthanamidChEBI
EthanamideChEBI
MethanecarboxamideChEBI
Acetate amideGenerator
Acetimidic acidHMDB
ACMHMDB
Amid kyseliny octoveHMDB
Acetamide, monosodium saltHMDB
Chemical FormulaC2H5NO
Average Mass59.0672 Da
Monoisotopic Mass59.03711 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number60-35-5
SMILESNot Available
InChI Identifier
InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)
InChI KeyDLFVBJFMPXGRIB-UHFFFAOYSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, D2O, experimental)rjm4kd@umsystem.eduSumner lab, University of MissouriRonald Myers2025-07-14View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, D2O, experimental)rjm4kd@umsystem.eduSumner lab, University of MissouriRonald Myers2025-07-14View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, D2O, experimental)rjm4kd@umsystem.eduSumner lab, University of MissouriRonald Myers2025-07-14View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, experimental)rjm4kd@umsystem.eduSumner lab, University of MissouriRonald Myers2025-07-14View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 600.0, D2O, simulated)rjm4kd@umsystem.eduSumner lab, University of MissouriRonald Myers2025-07-14View Spectrum
Species
Species of Origin
Species NameSourceReference
Cannabis sativaCannabisDB
      Not Available
Carica papaya L.Plant
Chemical Taxonomy
Description Belongs to the class of organic compounds known as carboximidic acids. These are organic acids with the general formula RC(=N)-OH (R=H, organic group).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboximidic acids and derivatives
Sub ClassCarboximidic acids
Direct ParentCarboximidic acids
Alternative Parents
Substituents
  • Carboximidic acid
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point82 - 83 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility2250 mg/mL at 25 °CNot Available
LogP-1.26Not Available
Predicted PropertiesNot Available
HMDB IDHMDB0031645
DrugBank IDDB02736
Phenol Explorer Compound IDNot Available
FoodDB IDFDB008298
KNApSAcK IDNot Available
Chemspider ID173
KEGG Compound IDC06244
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkAcetamide
METLIN IDNot Available
PubChem Compound178
PDB IDNot Available
ChEBI ID27856
Good Scents IDNot Available
References
General References
  1. Yalcin I, Kaymakcioglu BK, Oren I, Sener E, Temiz O, Akin A, Altanlar N: Synthesis and microbiological activity of some novel N-(2-hydroxyl-5-substitutedphenyl)benzacetamides, phenoxyacetamides and thiophenoxyacetamides as the possible metabolites of antimicrobial active benzoxazoles. Farmaco. 1997 Nov;52(11):685-9. [PubMed:9550095 ]
  2. Jawed H, Shah SU, Jamall S, Simjee SU: N-(2-hydroxy phenyl) acetamide inhibits inflammation-related cytokines and ROS in adjuvant-induced arthritic (AIA) rats. Int Immunopharmacol. 2010 Aug;10(8):900-5. doi: 10.1016/j.intimp.2010.04.028. Epub 2010 May 7. [PubMed:20452462 ]
  3. Muri EM, Williamson JS: Anti-Helicobacter pylori agents. An update. Mini Rev Med Chem. 2004 Feb;4(2):201-6. [PubMed:14965292 ]
  4. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .