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

• ChemBase ID: 698457
• Molecular Formular: C23H37N3O2
• Molecular Mass: 387.55878
• Monoisotopic Mass: 387.28857744
• SMILES: c12c(n(c(c1CC(=O)NCCN(C)C)C)C1CCCCC1)CC(CC2=O)(C)C
• Canonical SMILES: CN(CCNC(=O)Cc1c(C)n(c2c1C(=O)CC(C2)(C)C)C1CCCCC1)C
• InChI: InChI=1S/C23H37N3O2/c1-16-18(13-21(28)24-11-12-25(4)5)22-19(14-23(2,3)15-20(22)27)26(16)17-9-7-6-8-10-17/h17H,6-15H2,1-5H3,(H,24,28)
• InChIKey: DRBPDOGDGNZULT-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-[2-(dimethylamino)ethyl]acetamide
• IUPAC Traditional name: 2-(1-cyclohexyl-2,6,6-trimethyl-4-oxo-5,7-dihydroindol-3-yl)-N-[2-(dimethylamino)ethyl]acetamide
• Synonyms: 2-(1-cyclohexyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)-N-[2-(dimethylamino)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.906394
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.723841
• LogD (pH = 7.4): 2.4562626
• Log P: 3.007803
• Molar Refractivity: 115.2469 cm^3
• Polarizability: 44.19548 Å^3
• Polar Surface Area: 54.34 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.04
• LOG S: -4.71
• Polar Surface Area: 54.34 Å^2
• Rotatable Bonds: 5