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

• ChemBase ID: 225730
• Molecular Formular: C18H18N2O2
• Molecular Mass: 294.34772
• Monoisotopic Mass: 294.13682783
• SMILES: c12c(NC(=O)CCc3c(OC)cccc3)cccc1[nH]cc2
• Canonical SMILES: COc1ccccc1CCC(=O)Nc1cccc2c1cc[nH]2
• InChI: InChI=1S/C18H18N2O2/c1-22-17-8-3-2-5-13(17)9-10-18(21)20-16-7-4-6-15-14(16)11-12-19-15/h2-8,11-12,19H,9-10H2,1H3,(H,20,21)
• InChIKey: YFQHYNODQKPQEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281640
• PubChem CID: 71753506

CALCULATED PROPERTIES

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 13.251866
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.4309554
• LogD (pH = 7.4): 3.430955
• Log P: 3.4309554
• Molar Refractivity: 87.7936 cm^3
• Polarizability: 34.395382 Å^3
• Polar Surface Area: 54.12 Å^2

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds