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

• ChemBase ID: 219054
• Molecular Formular: C23H25NO8
• Molecular Mass: 443.4465
• Monoisotopic Mass: 443.15801677
• SMILES: c1(c(c(=O)oc2c1c(cc(c2)OC)OC)CC(=O)Nc1cc(c(c(c1)OC)OC)OC)C
• Canonical SMILES: COc1cc(OC)c2c(c1)oc(=O)c(c2C)CC(=O)Nc1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C23H25NO8/c1-12-15(23(26)32-17-10-14(27-2)9-16(28-3)21(12)17)11-20(25)24-13-7-18(29-4)22(31-6)19(8-13)30-5/h7-10H,11H2,1-6H3,(H,24,25)
• InChIKey: NQVFOWAODQKNAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164274964
• PubChem CID: 16408978

CALCULATED PROPERTIES

• Acid pKa: 10.872082
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 2.2485754
• LogD (pH = 7.4): 2.248431
• Log P: 2.248577
• Molar Refractivity: 117.0474 cm^3
• Polarizability: 44.67729 Å^3
• Polar Surface Area: 101.55 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds