2-cyclopropyl-N,N-dimethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide

• ChemBase编号: 415807
• 分子式: C21H29N3O2
• 平均质量: 355.47386
• 单一同位素质量: 355.22597718
• SMILES: N1(C(=O)C(CC2(C1)CCN(C(=O)N(C)C)CC2)c1ccccc1)C1CC1
• Canonical SMILES: O=C1C(CC2(CN1C1CC1)CCN(CC2)C(=O)N(C)C)c1ccccc1
• InChI: InChI=1S/C21H29N3O2/c1-22(2)20(26)23-12-10-21(11-13-23)14-18(16-6-4-3-5-7-16)19(25)24(15-21)17-8-9-17/h3-7,17-18H,8-15H2,1-2H3
• InChIKey: GSDIZXWKZVOCDU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-cyclopropyl-N,N-dimethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide
• IUPAC传统名: 2-cyclopropyl-N,N-dimethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide
• 别名: 2-cyclopropyl-N,N-dimethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.5577682
• LogD (pH = 7.4): 1.5577686
• Log P: 1.5577686
• 摩尔折射率: 101.7722 cm^3
• 极化性: 39.315952 Å^3
• 极化表面积: 43.86 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: 2.38
• LOG S: -3.82
• 极化表面积: 43.86 Å^2
• 可自由旋转的化学键: 2