7-cyclohexyl-6-oxo-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide

• ChemBase编号: 686628
• 分子式: C21H29N3O2
• 平均质量: 355.47386
• 单一同位素质量: 355.22597718
• SMILES: C12(C(=O)N(C3CCCCC3)CCC2)CN(C(=O)Nc2ccccc2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C1CCCCC1)Nc1ccccc1
• InChI: InChI=1S/C21H29N3O2/c25-19-21(12-7-14-24(19)18-10-5-2-6-11-18)13-15-23(16-21)20(26)22-17-8-3-1-4-9-17/h1,3-4,8-9,18H,2,5-7,10-16H2,(H,22,26)
• InChIKey: ISJZKRGHDVDYIS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-cyclohexyl-6-oxo-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide
• IUPAC传统名: 7-cyclohexyl-6-oxo-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide
• 别名: 7-cyclohexyl-6-oxo-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide

理论计算性质

JChem

• Acid pKa: 13.418304
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.0759404
• LogD (pH = 7.4): 3.075942
• Log P: 3.0759423
• 摩尔折射率: 103.0182 cm^3
• 极化性: 39.305878 Å^3
• 极化表面积: 52.65 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 1
• Log P: 3.04
• LOG S: -4.39
• 极化表面积: 52.65 Å^2
• 可自由旋转的化学键: 2