2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide

• ChemBase ID: 214421
• Molecular Formular: C24H24N2O5
• Molecular Mass: 420.45776
• Monoisotopic Mass: 420.16852188
• SMILES: c12oc(=O)c(c(c1ccc(c2OC)OC)C)CC(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: COc1c(OC)ccc2c1oc(=O)c(c2C)CC(=O)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C24H24N2O5/c1-14-16-8-9-20(29-2)23(30-3)22(16)31-24(28)18(14)12-21(27)25-11-10-15-13-26-19-7-5-4-6-17(15)19/h4-9,13,26H,10-12H2,1-3H3,(H,25,27)
• InChIKey: IIZHOKBCYJOJPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide

Database IDs

• PubChem SID: 164270331
• PubChem CID: 4869987

CALCULATED PROPERTIES

• Acid pKa: 14.705045
• 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
• Polarizability: 45.943817 Å^3
• Polar Surface Area: 89.65 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds