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

• ChemBase ID: 850436
• Molecular Formular: C20H24N2O2
• Molecular Mass: 324.41676
• Monoisotopic Mass: 324.18377802
• SMILES: c12c(c(n(c1CCCC2=O)CCCc1ccccc1)C)CC(=O)N
• Canonical SMILES: NC(=O)Cc1c(C)n(c2c1C(=O)CCC2)CCCc1ccccc1
• InChI: InChI=1S/C20H24N2O2/c1-14-16(13-19(21)24)20-17(10-5-11-18(20)23)22(14)12-6-9-15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-13H2,1H3,(H2,21,24)
• InChIKey: KFLUCLASXVXXQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.915656
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8368485
• LogD (pH = 7.4): 2.8368485
• Log P: 2.8368485
• Molar Refractivity: 96.2618 cm^3
• Polarizability: 36.34143 Å^3
• Polar Surface Area: 65.09 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.89
• LOG S: -4.03
• Polar Surface Area: 65.09 Å^2
• Rotatable Bonds: 6