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

• ChemBase ID: 228079
• Molecular Formular: C25H26N2O5
• Molecular Mass: 434.48434
• Monoisotopic Mass: 434.18417194
• SMILES: c1(c2c([nH]c1)cccc2OC)C(c1cc(c(cc1)OC)OC)CC(=O)NCc1occc1
• Canonical SMILES: COc1cc(ccc1OC)C(c1c[nH]c2c1c(OC)ccc2)CC(=O)NCc1ccco1
• InChI: InChI=1S/C25H26N2O5/c1-29-21-10-9-16(12-23(21)31-3)18(13-24(28)27-14-17-6-5-11-32-17)19-15-26-20-7-4-8-22(30-2)25(19)20/h4-12,15,18,26H,13-14H2,1-3H3,(H,27,28)
• InChIKey: CPQREUWUNGILLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283989
• PubChem CID: 71755196

CALCULATED PROPERTIES

• Acid pKa: 13.71029
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.3035872
• LogD (pH = 7.4): 3.303587
• Log P: 3.3035872
• Molar Refractivity: 120.8087 cm^3
• Polarizability: 47.70464 Å^3
• Polar Surface Area: 85.72 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds