N-[1-(1H-indol-3-yl)propan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide

• ChemBase ID: 202504
• Molecular Formular: C24H30N2O
• Molecular Mass: 362.5078
• Monoisotopic Mass: 362.23581359
• SMILES: c1(c[nH]c2c1cccc2)CC(NC(=O)C(c1ccc(cc1)CC(C)C)C)C
• Canonical SMILES: CC(Cc1ccc(cc1)C(C(=O)NC(Cc1c[nH]c2c1cccc2)C)C)C
• InChI: InChI=1S/C24H30N2O/c1-16(2)13-19-9-11-20(12-10-19)18(4)24(27)26-17(3)14-21-15-25-23-8-6-5-7-22(21)23/h5-12,15-18,25H,13-14H2,1-4H3,(H,26,27)
• InChIKey: YHYIXRWFLNNBGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1H-indol-3-yl)propan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
• IUPAC Traditional name: N-[1-(1H-indol-3-yl)propan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide

Database IDs

• PubChem SID: 164258414
• PubChem CID: 2827377

CALCULATED PROPERTIES

• Acid pKa: 15.794593
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 5.788763
• LogD (pH = 7.4): 5.788763
• Log P: 5.788763
• Molar Refractivity: 112.3237 cm^3
• Polarizability: 44.769493 Å^3
• Polar Surface Area: 44.89 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Description: Isomers
• Classification: Rare Derivatives of Natural Compounds