3-Oxo-N-(1-phenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanimidic acid

HCID 32078

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Basic information

CAS: 23771-15-5
Standard SMILES: COc1cc(C(=O)CC(=O)NC(C)Cc2ccccc2)cc(OC)c1OC
InChIKey: GQDHTEQNGCEKCU-UHFFFAOYSA-N
Molecular formula: C21H25NO5
Average molar mass: 371.4 g/mol
Monoisotopic mass: 371.1732729

Names & identifiers

Preferred name: 3-Oxo-N-(1-phenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanimidic acid
IUPAC: 3-oxo-N-(1-phenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
English name: N-(α-Methylphenethyl)-2-(3,4,5-trimethoxybenzoyl)acetamide
Molecular formula: C21H25NO5
Molecular weight: 371.43

Names & synonyms

23771-15-5DTXSID209465573-Oxo-N-(1-phenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanimidic acidRefChem:1068423DTXCID801374840N-(alpha-Methylphenethyl)-2-(3,4,5-trimethoxybenzoyl)-acetamideACETAMIDE, N-(alpha-METHYLPHENETHYL)-2-(3,4,5-TRIMETHOXYBENZOYL)-N-(alpha-Methylphenethyl)-2-(3,4,5-trimethoxybenzoyl)acetamideN-(α-Methylphenethyl)-2-(3,4,5-trimethoxybenzoyl)acetamideBenzenepropanamide, 3,4,5-trimethoxy-N-(1-methyl-2-phenylethyl)-β-oxo-

Database identifiers

CAS: 23771-15-5
PubChem CID: 32078
DTXSID: DTXSID20946557
Nikkaji: J73.488H

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 73.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 9
Heavy atoms: 27
Formal charge: 0
Complexity: 463

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