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

• ChemBase ID: 753988
• Molecular Formular: C20H32N2O3
• Molecular Mass: 348.47968
• Monoisotopic Mass: 348.24129289
• SMILES: n1(c2c(c(c1C)CC(=O)NCCOC)C(=O)CC(C2)(C)C)CC(C)C
• Canonical SMILES: COCCNC(=O)Cc1c(C)n(c2c1C(=O)CC(C2)(C)C)CC(C)C
• InChI: InChI=1S/C20H32N2O3/c1-13(2)12-22-14(3)15(9-18(24)21-7-8-25-6)19-16(22)10-20(4,5)11-17(19)23/h13H,7-12H2,1-6H3,(H,21,24)
• InChIKey: CEAAFNZEHTXRJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-2-[2,6,6-trimethyl-1-(2-methylpropyl)-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl]acetamide
• IUPAC Traditional name: N-(2-methoxyethyl)-2-[2,6,6-trimethyl-1-(2-methylpropyl)-4-oxo-5,7-dihydroindol-3-yl]acetamide
• Synonyms: 2-(1-isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.764835
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3872154
• LogD (pH = 7.4): 2.3872154
• Log P: 2.3872154
• Molar Refractivity: 101.0013 cm^3
• Polarizability: 38.56699 Å^3
• Polar Surface Area: 60.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.12
• LOG S: -4.39
• Polar Surface Area: 60.33 Å^2
• Rotatable Bonds: 5