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

• ChemBase编号: 451897
• 分子式: C20H29N3O2
• 平均质量: 343.46316
• 单一同位素质量: 343.22597718
• SMILES: C1(=O)N(CC2(CC1c1ccccc1)CCN(C(=O)N(C)C)CC2)CC
• Canonical SMILES: CCN1CC2(CCN(CC2)C(=O)N(C)C)CC(C1=O)c1ccccc1
• InChI: InChI=1S/C20H29N3O2/c1-4-22-15-20(10-12-23(13-11-20)19(25)21(2)3)14-17(18(22)24)16-8-6-5-7-9-16/h5-9,17H,4,10-15H2,1-3H3
• InChIKey: AQXCYXAOOPIWRZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-ethyl-N,N-dimethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide
• IUPAC传统名: 2-ethyl-N,N-dimethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide
• 别名: 2-ethyl-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): 1.4490117
• LogD (pH = 7.4): 1.4490119
• Log P: 1.4490119
• 摩尔折射率: 99.3096 cm^3
• 极化性: 38.202442 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: 2.54
• LOG S: -3.87
• 极化表面积: 43.86 Å^2
• 可自由旋转的化学键: 2