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

• ChemBase ID: 219910
• Molecular Formular: C22H23NO7
• Molecular Mass: 413.42052
• Monoisotopic Mass: 413.14745208
• SMILES: c1(c(c(=O)oc2c1c(cc(c2)OC)OC)CC(=O)Nc1cc(c(cc1)OC)OC)C
• Canonical SMILES: COc1cc(OC)c2c(c1)oc(=O)c(c2C)CC(=O)Nc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C22H23NO7/c1-12-15(11-20(24)23-13-6-7-16(27-3)17(8-13)28-4)22(25)30-19-10-14(26-2)9-18(29-5)21(12)19/h6-10H,11H2,1-5H3,(H,23,24)
• InChIKey: HWXBSRDVNDRBNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164275820
• PubChem CID: 4973112

CALCULATED PROPERTIES

• Acid pKa: 10.87689
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.4062467
• LogD (pH = 7.4): 2.4061036
• Log P: 2.4062483
• Molar Refractivity: 110.5842 cm^3
• Polarizability: 42.133488 Å^3
• Polar Surface Area: 92.32 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds