Record Information |
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Version | 1.0 |
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Created at | 2021-06-22 17:41:20 UTC |
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Updated at | 2021-06-22 17:41:20 UTC |
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NP-MRD ID | NP0043928 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | N-(3-acetamidopropyl)-4-hydroxy-3-methoxybenzamide |
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Description | N-(3-acetamidopropyl)-4-hydroxy-3-methoxybenzamide belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. N-(3-acetamidopropyl)-4-hydroxy-3-methoxybenzamide is found in Penicillium citreonigrum. It was first documented in 2018 (Huang, et al.). Based on a literature review very few articles have been published on N-(3-acetamidopropyl)-4-hydroxy-3-methoxybenzamide. |
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Structure | COC1=C(O)C=CC(=C1)C(=O)NCCCNC(C)=O InChI=1S/C13H18N2O4/c1-9(16)14-6-3-7-15-13(18)10-4-5-11(17)12(8-10)19-2/h4-5,8,17H,3,6-7H2,1-2H3,(H,14,16)(H,15,18) |
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Synonyms | Value | Source |
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N-(3-{[hydroxy(4-hydroxy-3-methoxyphenyl)methylidene]amino}propyl)ethanimidate | Generator |
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Chemical Formula | C13H18N2O4 |
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Average Mass | 266.2970 Da |
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Monoisotopic Mass | 266.12666 Da |
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IUPAC Name | N-{3-[(4-hydroxy-3-methoxyphenyl)formamido]propyl}acetamide |
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Traditional Name | N-{3-[(4-hydroxy-3-methoxyphenyl)formamido]propyl}acetamide |
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CAS Registry Number | Not Available |
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SMILES | COC1=C(O)C=CC(=C1)C(=O)NCCCNC(C)=O |
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InChI Identifier | InChI=1S/C13H18N2O4/c1-9(16)14-6-3-7-15-13(18)10-4-5-11(17)12(8-10)19-2/h4-5,8,17H,3,6-7H2,1-2H3,(H,14,16)(H,15,18) |
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InChI Key | NFLNDKIGFCLSDU-UHFFFAOYSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 125 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 150 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 250 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 175 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 225 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 25 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Species Name | Source | Reference |
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Penicillium citreonigrum | Linigton's dataset | - Jia-ning Huang, Qingbo Zou, Jun Chen, Si-han Xu, Dan Luo, Feng-guo Zhang, Yuan-yuan Lu. Phenols a...
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Phenols |
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Sub Class | Methoxyphenols |
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Direct Parent | Methoxyphenols |
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Alternative Parents | |
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Substituents | - Methoxyphenol
- Benzoic acid or derivatives
- Benzamide
- Phenoxy compound
- Methoxybenzene
- Phenol ether
- Benzoyl
- Anisole
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Monocyclic benzene moiety
- Acetamide
- Secondary carboxylic acid amide
- Carboxamide group
- Ether
- Carboxylic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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