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

• ChemBase ID: 225686
• Molecular Formular: C24H24N2O5
• Molecular Mass: 420.45776
• Monoisotopic Mass: 420.16852188
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)OC)CC(=O)NCCn1c2c(cc1)c(OC)ccc2
• Canonical SMILES: COc1ccc2c(c1)oc(=O)c(c2C)CC(=O)NCCn1ccc2c1cccc2OC
• InChI: InChI=1S/C24H24N2O5/c1-15-17-8-7-16(29-2)13-22(17)31-24(28)19(15)14-23(27)25-10-12-26-11-9-18-20(26)5-4-6-21(18)30-3/h4-9,11,13H,10,12,14H2,1-3H3,(H,25,27)
• InChIKey: FTXATPQHGTWNPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-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-(4-methoxyindol-1-yl)ethyl]acetamide

Database IDs

• PubChem SID: 164281596
• PubChem CID: 71753463

CALCULATED PROPERTIES

• Acid pKa: 14.708664
• 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: 45.944195 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