N-(2,4-dimethoxyphenyl)-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 198107
• Molecular Formular: C20H19NO6
• Molecular Mass: 369.36796
• Monoisotopic Mass: 369.12123733
• SMILES: c12oc(=O)cc(c1ccc(c2)OCC(=O)Nc1c(cc(cc1)OC)OC)C
• Canonical SMILES: COc1ccc(c(c1)OC)NC(=O)COc1ccc2c(c1)oc(=O)cc2C
• InChI: InChI=1S/C20H19NO6/c1-12-8-20(23)27-17-10-14(4-6-15(12)17)26-11-19(22)21-16-7-5-13(24-2)9-18(16)25-3/h4-10H,11H2,1-3H3,(H,21,22)
• InChIKey: ACWCBOKBEKLDKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,4-dimethoxyphenyl)-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
• IUPAC Traditional name: N-(2,4-dimethoxyphenyl)-2-[(4-methyl-2-oxochromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164254017
• PubChem CID: 1752433

CALCULATED PROPERTIES

• Acid pKa: 11.861425
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.5220253
• LogD (pH = 7.4): 2.5220113
• Log P: 2.5220256
• Molar Refractivity: 99.5821 cm^3
• Polarizability: 37.75763 Å^3
• Polar Surface Area: 83.09 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds