N,N-dimethyl-2-[2-oxo-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide

• ChemBase编号: 614461
• 分子式: C20H29N3O3
• 平均质量: 359.46256
• 单一同位素质量: 359.2208918
• SMILES: C1(=O)N(CC(c2ccccc2)C)CC2(O1)CCN(CC(=O)N(C)C)CC2
• Canonical SMILES: CC(c1ccccc1)CN1CC2(OC1=O)CCN(CC2)CC(=O)N(C)C
• InChI: InChI=1S/C20H29N3O3/c1-16(17-7-5-4-6-8-17)13-23-15-20(26-19(23)25)9-11-22(12-10-20)14-18(24)21(2)3/h4-8,16H,9-15H2,1-3H3
• InChIKey: ZSELZHGBTGEEAF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-2-[2-oxo-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide
• IUPAC传统名: N,N-dimethyl-2-[2-oxo-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide
• 别名: N,N-dimethyl-2-[2-oxo-3-(2-phenylpropyl)-1-oxa-3,8-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): -0.54276127
• LogD (pH = 7.4): 1.0312715
• Log P: 1.3119048
• 摩尔折射率: 100.794 cm^3
• 极化性: 39.29066 Å^3
• 极化表面积: 53.09 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: 4
• 质子供体: 0
• Log P: 2.28
• LOG S: -3.77
• 极化表面积: 53.09 Å^2
• 可自由旋转的化学键: 5