2-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]acetamide

• ChemBase ID: 212790
• Molecular Formular: C23H25NO7
• Molecular Mass: 427.4471
• Monoisotopic Mass: 427.16310215
• SMILES: c1(c(c(=O)oc2c1c(cc(c2)OC)OC)CC(=O)NCc1c(cc(cc1)OC)OC)C
• Canonical SMILES: COc1ccc(c(c1)OC)CNC(=O)Cc1c(=O)oc2c(c1C)c(OC)cc(c2)OC
• InChI: InChI=1S/C23H25NO7/c1-13-17(23(26)31-20-10-16(28-3)9-19(30-5)22(13)20)11-21(25)24-12-14-6-7-15(27-2)8-18(14)29-4/h6-10H,11-12H2,1-5H3,(H,24,25)
• InChIKey: QYSSLMBESNBQJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]acetamide
• IUPAC Traditional name: 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]acetamide

Database IDs

• PubChem SID: 164268700
• PubChem CID: 4965889

CALCULATED PROPERTIES

• Acid pKa: 14.408805
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.1131532
• LogD (pH = 7.4): 2.113153
• Log P: 2.1131532
• Molar Refractivity: 113.6384 cm^3
• Polarizability: 43.974934 Å^3
• Polar Surface Area: 92.32 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds