2-[(4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]-N-[2-(1H-indol-3-yl)ethyl]acetamide

• ChemBase ID: 213162
• Molecular Formular: C24H24N2O4
• Molecular Mass: 404.45836
• Monoisotopic Mass: 404.17360726
• SMILES: c1(c2c(oc(=O)c1)cc(cc2OCC(=O)NCCc1c[nH]c2c1cccc2)C)CC
• Canonical SMILES: CCc1cc(=O)oc2c1c(OCC(=O)NCCc1c[nH]c3c1cccc3)cc(c2)C
• InChI: InChI=1S/C24H24N2O4/c1-3-16-12-23(28)30-21-11-15(2)10-20(24(16)21)29-14-22(27)25-9-8-17-13-26-19-7-5-4-6-18(17)19/h4-7,10-13,26H,3,8-9,14H2,1-2H3,(H,25,27)
• InChIKey: YFIODLXSZIFNEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]-N-[2-(1H-indol-3-yl)ethyl]acetamide
• IUPAC Traditional name: 2-[(4-ethyl-7-methyl-2-oxochromen-5-yl)oxy]-N-[2-(1H-indol-3-yl)ethyl]acetamide

Database IDs

• PubChem SID: 164269072
• PubChem CID: 4966727

CALCULATED PROPERTIES

• Acid pKa: 15.034284
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.889686
• LogD (pH = 7.4): 3.889686
• Log P: 3.889686
• Molar Refractivity: 115.1936 cm^3
• Polarizability: 45.193886 Å^3
• Polar Surface Area: 80.42 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds