2-(6,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide

• ChemBase ID: 220220
• Molecular Formular: C24H24N2O5
• Molecular Mass: 420.45776
• Monoisotopic Mass: 420.16852188
• SMILES: c1(c(c2c(oc1=O)cc(c(c2)OC)OC)C)CC(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: COc1cc2c(cc1OC)oc(=O)c(c2C)CC(=O)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C24H24N2O5/c1-14-17-10-21(29-2)22(30-3)12-20(17)31-24(28)18(14)11-23(27)25-9-8-15-13-26-19-7-5-4-6-16(15)19/h4-7,10,12-13,26H,8-9,11H2,1-3H3,(H,25,27)
• InChIKey: IZKZWELYJDVCSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(6,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide

Database IDs

• PubChem SID: 164276130
• PubChem CID: 17572047

CALCULATED PROPERTIES

• Polarizability: 45.941326 Å^3
• Polar Surface Area: 89.65 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 14.704931
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.815919
• LogD (pH = 7.4): 2.815919
• Log P: 2.815919
• Molar Refractivity: 116.5535 cm^3

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds