2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide

• ChemBase ID: 218982
• Molecular Formular: C24H24N2O4
• Molecular Mass: 404.45836
• Monoisotopic Mass: 404.17360726
• SMILES: c1(c(c(=O)oc2c1c(cc(c2)C)O)CC(=O)NC(Cc1c[nH]c2c1cccc2)C)C
• Canonical SMILES: CC(Cc1c[nH]c2c1cccc2)NC(=O)Cc1c(=O)oc2c(c1C)c(O)cc(c2)C
• InChI: InChI=1S/C24H24N2O4/c1-13-8-20(27)23-15(3)18(24(29)30-21(23)9-13)11-22(28)26-14(2)10-16-12-25-19-7-5-4-6-17(16)19/h4-9,12,14,25,27H,10-11H2,1-3H3,(H,26,28)
• InChIKey: WTWAYFVMFKEYMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
• IUPAC Traditional name: 2-(5-hydroxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide

Database IDs

• PubChem SID: 164274892
• PubChem CID: 16408914

CALCULATED PROPERTIES

• Acid pKa: 7.6613073
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 3.7547264
• LogD (pH = 7.4): 3.56948
• Log P: 3.7576926
• Molar Refractivity: 115.068 cm^3
• Polarizability: 45.12151 Å^3
• Polar Surface Area: 91.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds