N-(furan-2-ylmethyl)-3-(4-methoxy-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide

• ChemBase ID: 227791
• Molecular Formular: C24H24N2O4
• Molecular Mass: 404.45836
• Monoisotopic Mass: 404.17360726
• SMILES: c1(c2c([nH]c1)cccc2OC)C(CC(=O)NCc1occc1)c1ccc(cc1)OC
• Canonical SMILES: COc1cccc2c1c(c[nH]2)C(c1ccc(cc1)OC)CC(=O)NCc1ccco1
• InChI: InChI=1S/C24H24N2O4/c1-28-17-10-8-16(9-11-17)19(13-23(27)26-14-18-5-4-12-30-18)20-15-25-21-6-3-7-22(29-2)24(20)21/h3-12,15,19,25H,13-14H2,1-2H3,(H,26,27)
• InChIKey: RVUWJKIBIBMFNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-3-(4-methoxy-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-3-(4-methoxy-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide

Database IDs

• PubChem SID: 164283701
• PubChem CID: 71754911

CALCULATED PROPERTIES

• Acid pKa: 13.810546
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.4612584
• LogD (pH = 7.4): 3.4612584
• Log P: 3.4612584
• Molar Refractivity: 114.3455 cm^3
• Polarizability: 45.190643 Å^3
• Polar Surface Area: 76.49 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds