N-ethyl-2-{2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl}-N-methylacetamide

• ChemBase编号: 430895
• 分子式: C22H33N3O2
• 平均质量: 371.51632
• 单一同位素质量: 371.25727731
• SMILES: C1(=O)N(CC2(CC1c1ccccc1)CCN(CC(=O)N(CC)C)CC2)CC
• Canonical SMILES: CCN(C(=O)CN1CCC2(CC1)CN(CC)C(=O)C(C2)c1ccccc1)C
• InChI: InChI=1S/C22H33N3O2/c1-4-23(3)20(26)16-24-13-11-22(12-14-24)15-19(18-9-7-6-8-10-18)21(27)25(5-2)17-22/h6-10,19H,4-5,11-17H2,1-3H3
• InChIKey: CNSNCAOSFPJLCO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-2-{2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl}-N-methylacetamide
• IUPAC传统名: N-ethyl-2-{2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl}-N-methylacetamide
• 别名: N-ethyl-2-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undec-9-yl)-N-methylacetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.7643164
• LogD (pH = 7.4): 0.98158467
• Log P: 1.5835118
• 摩尔折射率: 109.0171 cm^3
• 极化性: 42.278072 Å^3
• 极化表面积: 43.86 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.38
• LOG S: -3.94
• 极化表面积: 43.86 Å^2
• 可自由旋转的化学键: 5