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

• ChemBase ID: 213340
• Molecular Formular: C23H22N2O4
• Molecular Mass: 390.43178
• Monoisotopic Mass: 390.15795719
• SMILES: c12c(c(cc(=O)o1)C)ccc(c2C)OCC(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(COc1ccc2c(c1C)oc(=O)cc2C)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C23H22N2O4/c1-14-11-22(27)29-23-15(2)20(8-7-17(14)23)28-13-21(26)24-10-9-16-12-25-19-6-4-3-5-18(16)19/h3-8,11-12,25H,9-10,13H2,1-2H3,(H,24,26)
• InChIKey: AJDIUPJHEINICI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164269250
• PubChem CID: 4967088

CALCULATED PROPERTIES

• Acid pKa: 14.994736
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.4451175
• LogD (pH = 7.4): 3.4451175
• Log P: 3.4451175
• Molar Refractivity: 110.5926 cm^3
• Polarizability: 43.35058 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