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

• ChemBase ID: 226124
• Molecular Formular: C24H24N2O5
• Molecular Mass: 420.45776
• Monoisotopic Mass: 420.16852188
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)OC)CC(=O)NCCn1c2c(cc1)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)oc(=O)c(c2C)CC(=O)NCCn1ccc2c1ccc(c2)OC
• InChI: InChI=1S/C24H24N2O5/c1-15-19-6-4-18(30-3)13-22(19)31-24(28)20(15)14-23(27)25-9-11-26-10-8-16-12-17(29-2)5-7-21(16)26/h4-8,10,12-13H,9,11,14H2,1-3H3,(H,25,27)
• InChIKey: LIIUKZLZNRYKOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164282034
• PubChem CID: 71692097

CALCULATED PROPERTIES

• Acid pKa: 14.700065
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.8281815
• LogD (pH = 7.4): 2.8281815
• Log P: 2.8281815
• Molar Refractivity: 116.1716 cm^3
• Polarizability: 45.94032 Å^3
• Polar Surface Area: 78.79 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds