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

• ChemBase ID: 213650
• Molecular Formular: C24H24N2O4
• Molecular Mass: 404.45836
• Monoisotopic Mass: 404.17360726
• SMILES: c12c(c(cc(=O)o2)C)ccc(c1C)OC(C(=O)NCCc1c[nH]c2c1cccc2)C
• Canonical SMILES: O=C(C(Oc1ccc2c(c1C)oc(=O)cc2C)C)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C24H24N2O4/c1-14-12-22(27)30-23-15(2)21(9-8-18(14)23)29-16(3)24(28)25-11-10-17-13-26-20-7-5-4-6-19(17)20/h4-9,12-13,16,26H,10-11H2,1-3H3,(H,25,28)
• InChIKey: WFSBHOQYODUDKF-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]propanamide
• IUPAC Traditional name: 2-[(4,8-dimethyl-2-oxochromen-7-yl)oxy]-N-[2-(1H-indol-3-yl)ethyl]propanamide

Database IDs

• PubChem SID: 164269560
• PubChem CID: 4868688

CALCULATED PROPERTIES

• Acid pKa: 14.992777
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.0138817
• LogD (pH = 7.4): 4.0138817
• Log P: 4.0138817
• Molar Refractivity: 115.0865 cm^3
• Polarizability: 45.19382 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