2-benzyl-9-cyclohexanecarbonyl-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 323007
• Molecular Formular: C23H32N2O2
• Molecular Mass: 368.51238
• Monoisotopic Mass: 368.24637827
• SMILES: N1(C(=O)CCC2(C1)CCN(C(=O)C1CCCCC1)CC2)Cc1ccccc1
• Canonical SMILES: O=C1CCC2(CN1Cc1ccccc1)CCN(CC2)C(=O)C1CCCCC1
• InChI: InChI=1S/C23H32N2O2/c26-21-11-12-23(18-25(21)17-19-7-3-1-4-8-19)13-15-24(16-14-23)22(27)20-9-5-2-6-10-20/h1,3-4,7-8,20H,2,5-6,9-18H2
• InChIKey: TUIIOLMTYWOYLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-9-cyclohexanecarbonyl-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-benzyl-9-cyclohexanecarbonyl-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-benzyl-9-(cyclohexylcarbonyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.139581
• LogD (pH = 7.4): 3.1395824
• Log P: 3.1395824
• Molar Refractivity: 107.2362 cm^3
• Polarizability: 41.86354 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.63
• LOG S: -4.99
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3