7-cyclohexyl-2-cyclopentanecarbonyl-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 701795
• 分子式: C20H32N2O2
• 平均质量: 332.48028
• 单一同位素质量: 332.24637827
• SMILES: C12(C(=O)N(C3CCCCC3)CCC2)CN(C(=O)C2CCCC2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C1CCCCC1)C1CCCC1
• InChI: InChI=1S/C20H32N2O2/c23-18(16-7-4-5-8-16)21-14-12-20(15-21)11-6-13-22(19(20)24)17-9-2-1-3-10-17/h16-17H,1-15H2
• InChIKey: RLCNVNUZIQNEAG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-cyclohexyl-2-cyclopentanecarbonyl-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 7-cyclohexyl-2-cyclopentanecarbonyl-2,7-diazaspiro[4.5]decan-6-one
• 别名: 7-cyclohexyl-2-(cyclopentylcarbonyl)-2,7-diazaspiro[4.5]decan-6-one

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.8371742
• LogD (pH = 7.4): 2.8371768
• Log P: 2.837177
• 摩尔折射率: 94.4876 cm^3
• 极化性: 37.067707 Å^3
• 极化表面积: 40.62 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: 0
• Log P: 3.35
• LOG S: -4.49
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 2