8-[2-(2,6-dimethoxyphenoxy)ethyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase编号: 611394
• 分子式: C19H28N2O5
• 平均质量: 364.43602
• 单一同位素质量: 364.19982201
• SMILES: C1(=O)N(CC2(O1)CCN(CC2)CCOc1c(OC)cccc1OC)CC
• Canonical SMILES: CCN1CC2(OC1=O)CCN(CC2)CCOc1c(OC)cccc1OC
• InChI: InChI=1S/C19H28N2O5/c1-4-21-14-19(26-18(21)22)8-10-20(11-9-19)12-13-25-17-15(23-2)6-5-7-16(17)24-3/h5-7H,4,8-14H2,1-3H3
• InChIKey: CQHYVBPQNGSPAD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-[2-(2,6-dimethoxyphenoxy)ethyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC传统名: 8-[2-(2,6-dimethoxyphenoxy)ethyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• 别名: 8-[2-(2,6-dimethoxyphenoxy)ethyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -0.7987304
• LogD (pH = 7.4): 0.937242
• Log P: 1.5009198
• 摩尔折射率: 97.4818 cm^3
• 极化性: 38.300385 Å^3
• 极化表面积: 60.47 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 6
• 质子供体: 0
• Log P: 2.44
• LOG S: -2.93
• 极化表面积: 60.47 Å^2
• 可自由旋转的化学键: 7