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

• ChemBase编号: 514149
• 分子式: C17H29N3O2
• 平均质量: 307.43106
• 单一同位素质量: 307.22597718
• SMILES: C12(C(=O)N(C3CCCCC3)CCC2)CN(C(=O)N(C)C)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C1CCCCC1)N(C)C
• InChI: InChI=1S/C17H29N3O2/c1-18(2)16(22)19-12-10-17(13-19)9-6-11-20(15(17)21)14-7-4-3-5-8-14/h14H,3-13H2,1-2H3
• InChIKey: ZXSVMWFVOCLBTH-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.2820479
• LogD (pH = 7.4): 1.2820499
• Log P: 1.28205
• 摩尔折射率: 86.3565 cm^3
• 极化性: 33.41789 Å^3
• 极化表面积: 43.86 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 2.32
• LOG S: -3.42
• 极化表面积: 43.86 Å^2
• 可自由旋转的化学键: 1