2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

• ChemBase ID: 218364
• Molecular Formular: C23H25NO8
• Molecular Mass: 443.4465
• Monoisotopic Mass: 443.15801677
• SMILES: c12oc(=O)c(c(c1ccc(c2OC)OC)C)CC(=O)Nc1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1cc(NC(=O)Cc2c(=O)oc3c(c2C)ccc(c3OC)OC)cc(c1OC)OC
• InChI: InChI=1S/C23H25NO8/c1-12-14-7-8-16(27-2)22(31-6)20(14)32-23(26)15(12)11-19(25)24-13-9-17(28-3)21(30-5)18(10-13)29-4/h7-10H,11H2,1-6H3,(H,24,25)
• InChIKey: QRCHJQCMSBDLRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
• IUPAC Traditional name: 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

Database IDs

• PubChem SID: 164274274
• PubChem CID: 16408333

CALCULATED PROPERTIES

• Acid pKa: 10.936047
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 2.2485757
• LogD (pH = 7.4): 2.248451
• Log P: 2.248577
• Molar Refractivity: 117.0474 cm^3
• Polarizability: 44.67895 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