N-methyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-4,5,6,7-tetrahydro-1H-indol-3-yl]acetamide

• ChemBase ID: 689103
• Molecular Formular: C20H24N2O2
• Molecular Mass: 324.41676
• Monoisotopic Mass: 324.18377802
• SMILES: c12c(c(n(c1CCCC2=O)CCc1ccccc1)C)CC(=O)NC
• Canonical SMILES: CNC(=O)Cc1c(C)n(c2c1C(=O)CCC2)CCc1ccccc1
• InChI: InChI=1S/C20H24N2O2/c1-14-16(13-19(24)21-2)20-17(9-6-10-18(20)23)22(14)12-11-15-7-4-3-5-8-15/h3-5,7-8H,6,9-13H2,1-2H3,(H,21,24)
• InChIKey: NYEFEVOJBRMWDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-4,5,6,7-tetrahydro-1H-indol-3-yl]acetamide
• IUPAC Traditional name: N-methyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indol-3-yl]acetamide
• Synonyms: N-methyl-2-[2-methyl-4-oxo-1-(2-phenylethyl)-4,5,6,7-tetrahydro-1H-indol-3-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.659861
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6159558
• LogD (pH = 7.4): 2.6159558
• Log P: 2.6159558
• Molar Refractivity: 96.5575 cm^3
• Polarizability: 36.340366 Å^3
• Polar Surface Area: 51.1 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.47
• LOG S: -4.65
• Polar Surface Area: 51.1 Å^2
• Rotatable Bonds: 5