N-[3-hydroxy-1-(4-methylphenyl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 730327
• Molecular Formular: C23H28N2O2
• Molecular Mass: 364.48062
• Monoisotopic Mass: 364.21507815
• SMILES: c1(c2c([nH]c1C)c(cc(c2)C)C)CC(=O)NC(c1ccc(cc1)C)CCO
• Canonical SMILES: OCCC(c1ccc(cc1)C)NC(=O)Cc1c(C)[nH]c2c1cc(C)cc2C
• InChI: InChI=1S/C23H28N2O2/c1-14-5-7-18(8-6-14)21(9-10-26)25-22(27)13-19-17(4)24-23-16(3)11-15(2)12-20(19)23/h5-8,11-12,21,24,26H,9-10,13H2,1-4H3,(H,25,27)
• InChIKey: MBVYNGLCLOOONN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-hydroxy-1-(4-methylphenyl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-[3-hydroxy-1-(4-methylphenyl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-[3-hydroxy-1-(4-methylphenyl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.542112
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 4.020413
• LogD (pH = 7.4): 4.020413
• Log P: 4.020413
• Molar Refractivity: 110.8848 cm^3
• Polarizability: 43.25009 Å^3
• Polar Surface Area: 65.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 3
• Log P: 3.82
• LOG S: -5.12
• Polar Surface Area: 65.12 Å^2
• Rotatable Bonds: 6