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

• ChemBase编号: 586072
• 分子式: C19H27N3O4
• 平均质量: 361.43538
• 单一同位素质量: 361.20015636
• SMILES: C1(=O)N(CC2(O1)CCN(CC(=O)N(C)C)CC2)CCOc1ccccc1
• Canonical SMILES: CN(C(=O)CN1CCC2(CC1)CN(C(=O)O2)CCOc1ccccc1)C
• InChI: InChI=1S/C19H27N3O4/c1-20(2)17(23)14-21-10-8-19(9-11-21)15-22(18(24)26-19)12-13-25-16-6-4-3-5-7-16/h3-7H,8-15H2,1-2H3
• InChIKey: ZRBAURJRGZWSQR-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -1.2768188
• LogD (pH = 7.4): 0.29721397
• Log P: 0.57784724
• 摩尔折射率: 97.507 cm^3
• 极化性: 38.147655 Å^3
• 极化表面积: 62.32 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 1.66
• LOG S: -3.25
• 极化表面积: 62.32 Å^2
• 可自由旋转的化学键: 6