2-(1-cyclohexyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)acetamide

• ChemBase ID: 570393
• Molecular Formular: C22H34N2O3
• Molecular Mass: 374.51696
• Monoisotopic Mass: 374.25694296
• SMILES: c12c(n(c(c1CC(=O)NC(CO)C)C)C1CCCCC1)CC(CC2=O)(C)C
• Canonical SMILES: OCC(NC(=O)Cc1c(C)n(c2c1C(=O)CC(C2)(C)C)C1CCCCC1)C
• InChI: InChI=1S/C22H34N2O3/c1-14(13-25)23-20(27)10-17-15(2)24(16-8-6-5-7-9-16)18-11-22(3,4)12-19(26)21(17)18/h14,16,25H,5-13H2,1-4H3,(H,23,27)
• InChIKey: UGDVXQGKDBVMFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-cyclohexyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)acetamide
• IUPAC Traditional name: 2-(1-cyclohexyl-2,6,6-trimethyl-4-oxo-5,7-dihydroindol-3-yl)-N-(1-hydroxypropan-2-yl)acetamide
• Synonyms: 2-(1-cyclohexyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)-N-(2-hydroxy-1-methylethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.998589
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.7156312
• LogD (pH = 7.4): 2.7156312
• Log P: 2.7156312
• Molar Refractivity: 107.9389 cm^3
• Polarizability: 41.448605 Å^3
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.38
• LOG S: -5.16
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 5