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

• ChemBase ID: 625659
• Molecular Formular: C23H36N2O3
• Molecular Mass: 388.54354
• Monoisotopic Mass: 388.27259302
• SMILES: n1(c2c(c(c1C)CC(=O)N[C@@H]1CC[C@H](CC1)O)C(=O)CC(C2)(C)C)CC(C)C
• Canonical SMILES: CC(Cn1c(C)c(c2c1CC(C)(C)CC2=O)CC(=O)N[C@@H]1CC[C@H](CC1)O)C
• InChI: InChI=1S/C23H36N2O3/c1-14(2)13-25-15(3)18(22-19(25)11-23(4,5)12-20(22)27)10-21(28)24-16-6-8-17(26)9-7-16/h14,16-17,26H,6-13H2,1-5H3,(H,24,28)/t16-,17-
• InChIKey: NBJRUESYOHURCX-QAQDUYKDSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.134638
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.8467429
• LogD (pH = 7.4): 2.8467429
• Log P: 2.8467429
• Molar Refractivity: 112.6415 cm^3
• Polarizability: 43.28908 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: 2.82
• LOG S: -5.43
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 4