N-[1-(1H-indol-3-yl)propan-2-yl]-2-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide

• ChemBase ID: 217630
• Molecular Formular: C24H24N2O4
• Molecular Mass: 404.45836
• Monoisotopic Mass: 404.17360726
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)OC)CC(=O)NC(Cc1c[nH]c2c1cccc2)C
• Canonical SMILES: COc1ccc2c(c1)oc(=O)c(c2C)CC(=O)NC(Cc1c[nH]c2c1cccc2)C
• InChI: InChI=1S/C24H24N2O4/c1-14(10-16-13-25-21-7-5-4-6-19(16)21)26-23(27)12-20-15(2)18-9-8-17(29-3)11-22(18)30-24(20)28/h4-9,11,13-14,25H,10,12H2,1-3H3,(H,26,27)
• InChIKey: VVKYWNXVGDRURD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164273540
• PubChem CID: 16407628

CALCULATED PROPERTIES

• Acid pKa: 14.7086935
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.390165
• LogD (pH = 7.4): 3.390165
• Log P: 3.390165
• Molar Refractivity: 114.5091 cm^3
• Polarizability: 45.270058 Å^3
• Polar Surface Area: 80.42 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds