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

• ChemBase ID: 223613
• Molecular Formular: C23H26N2O2
• Molecular Mass: 362.46474
• Monoisotopic Mass: 362.19942808
• SMILES: c1(cn(c2c1cccc2)CCC(=O)NC(CCc1ccccc1)C)C(=O)C
• Canonical SMILES: CC(NC(=O)CCn1cc(c2c1cccc2)C(=O)C)CCc1ccccc1
• InChI: InChI=1S/C23H26N2O2/c1-17(12-13-19-8-4-3-5-9-19)24-23(27)14-15-25-16-21(18(2)26)20-10-6-7-11-22(20)25/h3-11,16-17H,12-15H2,1-2H3,(H,24,27)
• InChIKey: AUMXCTYRLVKANN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164279523
• PubChem CID: 49652361

CALCULATED PROPERTIES

• Acid pKa: 15.487411
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.8593388
• LogD (pH = 7.4): 3.859339
• Log P: 3.859339
• Molar Refractivity: 108.3343 cm^3
• Polarizability: 43.01462 Å^3
• Polar Surface Area: 51.1 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds