2-(1H-indol-3-yl)-N-(4-phenylbutan-2-yl)acetamide

• ChemBase ID: 218475
• Molecular Formular: C20H22N2O
• Molecular Mass: 306.40148
• Monoisotopic Mass: 306.17321333
• SMILES: c1(c[nH]c2c1cccc2)CC(=O)NC(CCc1ccccc1)C
• Canonical SMILES: CC(NC(=O)Cc1c[nH]c2c1cccc2)CCc1ccccc1
• InChI: InChI=1S/C20H22N2O/c1-15(11-12-16-7-3-2-4-8-16)22-20(23)13-17-14-21-19-10-6-5-9-18(17)19/h2-10,14-15,21H,11-13H2,1H3,(H,22,23)
• InChIKey: ZXQZRSVQRRSGJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164274385
• PubChem CID: 16408437

CALCULATED PROPERTIES

• Acid pKa: 15.73154
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 4.0007677
• LogD (pH = 7.4): 4.0007677
• Log P: 4.0007677
• Molar Refractivity: 93.5584 cm^3
• Polarizability: 37.465195 Å^3
• Polar Surface Area: 44.89 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds