3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1H-indol-6-yl)propanamide

• ChemBase ID: 226750
• Molecular Formular: C19H18N2O2
• Molecular Mass: 306.35842
• Monoisotopic Mass: 306.13682783
• SMILES: c12[nH]ccc2ccc(c1)NC(=O)CCc1cc2c(OCC2)cc1
• Canonical SMILES: O=C(Nc1ccc2c(c1)[nH]cc2)CCc1ccc2c(c1)CCO2
• InChI: InChI=1S/C19H18N2O2/c22-19(21-16-4-3-14-7-9-20-17(14)12-16)6-2-13-1-5-18-15(11-13)8-10-23-18/h1,3-5,7,9,11-12,20H,2,6,8,10H2,(H,21,22)
• InChIKey: AUZVNOCITQJZAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1H-indol-6-yl)propanamide
• IUPAC Traditional name: 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1H-indol-6-yl)propanamide

Database IDs

• PubChem SID: 164282660
• PubChem CID: 71753903

CALCULATED PROPERTIES

• Acid pKa: 13.792062
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.4708438
• LogD (pH = 7.4): 3.4708438
• Log P: 3.4708438
• Molar Refractivity: 91.1032 cm^3
• Polarizability: 35.419178 Å^3
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds