N,N-dimethyl-2-{1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl}acetamide

• ChemBase编号: 580491
• 分子式: C19H27N3O2
• 平均质量: 329.43658
• 单一同位素质量: 329.21032712
• SMILES: C1(=O)N(C2(CC1c1ccccc1)CCN(CC(=O)N(C)C)CC2)C
• Canonical SMILES: O=C(N(C)C)CN1CCC2(CC1)CC(C(=O)N2C)c1ccccc1
• InChI: InChI=1S/C19H27N3O2/c1-20(2)17(23)14-22-11-9-19(10-12-22)13-16(18(24)21(19)3)15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3
• InChIKey: XYMCQWAYAKEKHL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-2-{1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl}acetamide
• IUPAC传统名: N,N-dimethyl-2-{1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl}acetamide
• 别名: N,N-dimethyl-2-(1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]dec-8-yl)acetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -1.68276
• LogD (pH = 7.4): -0.0135047035
• Log P: 0.3898247
• 摩尔折射率: 94.865 cm^3
• 极化性: 36.751358 Å^3
• 极化表面积: 43.86 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 1.05
• LOG S: -2.5
• 极化表面积: 43.86 Å^2
• 可自由旋转的化学键: 3