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

• ChemBase ID: 225689
• Molecular Formular: C18H18N2O2
• Molecular Mass: 294.34772
• Monoisotopic Mass: 294.13682783
• SMILES: c12c(NC(=O)CCc3ccc(cc3)OC)cccc1[nH]cc2
• Canonical SMILES: COc1ccc(cc1)CCC(=O)Nc1cccc2c1cc[nH]2
• InChI: InChI=1S/C18H18N2O2/c1-22-14-8-5-13(6-9-14)7-10-18(21)20-17-4-2-3-16-15(17)11-12-19-16/h2-6,8-9,11-12,19H,7,10H2,1H3,(H,20,21)
• InChIKey: ZASGMNLFCBIFBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281599
• PubChem CID: 71753466

CALCULATED PROPERTIES

• Acid pKa: 13.251926
• 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: 34.39523 Å^3
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds