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

• ChemBase ID: 211032
• Molecular Formular: C24H27NO7
• Molecular Mass: 441.47368
• Monoisotopic Mass: 441.17875221
• SMILES: c1(c(c(=O)oc2c1c(cc(c2)OC)OC)CC(=O)NCCc1cc(c(cc1)OC)OC)C
• Canonical SMILES: COc1cc(OC)c2c(c1)oc(=O)c(c2C)CC(=O)NCCc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C24H27NO7/c1-14-17(24(27)32-21-12-16(28-2)11-20(31-5)23(14)21)13-22(26)25-9-8-15-6-7-18(29-3)19(10-15)30-4/h6-7,10-12H,8-9,13H2,1-5H3,(H,25,26)
• InChIKey: XWEJXFPRQATEPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164266942
• PubChem CID: 4837385

CALCULATED PROPERTIES

• Acid pKa: 14.554634
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.4018142
• LogD (pH = 7.4): 2.4018142
• Log P: 2.4018142
• Molar Refractivity: 118.3934 cm^3
• Polarizability: 45.813217 Å^3
• Polar Surface Area: 92.32 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds