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

• ChemBase ID: 227723
• Molecular Formular: C23H22N2O3
• Molecular Mass: 374.43238
• Monoisotopic Mass: 374.16304257
• SMILES: c1(c2c([nH]c1)cccc2OC)C(CC(=O)NCc1occc1)c1ccccc1
• Canonical SMILES: COc1cccc2c1c(c[nH]2)C(c1ccccc1)CC(=O)NCc1ccco1
• InChI: InChI=1S/C23H22N2O3/c1-27-21-11-5-10-20-23(21)19(15-24-20)18(16-7-3-2-4-8-16)13-22(26)25-14-17-9-6-12-28-17/h2-12,15,18,24H,13-14H2,1H3,(H,25,26)
• InChIKey: SDRJSPJKBRKZCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283633
• PubChem CID: 71754845

CALCULATED PROPERTIES

• Acid pKa: 13.941256
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.6189296
• LogD (pH = 7.4): 3.6189296
• Log P: 3.6189299
• Molar Refractivity: 107.8823 cm^3
• Polarizability: 42.68705 Å^3
• Polar Surface Area: 67.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds