N-[2-(2-ethylphenoxy)ethyl]-N-methyl-3-(1,2-oxazolidin-2-yl)propanamide

• ChemBase编号: 850477
• 分子式: C17H26N2O3
• 平均质量: 306.39994
• 单一同位素质量: 306.1943427
• SMILES: C(=O)(CCN1OCCC1)N(CCOc1c(CC)cccc1)C
• Canonical SMILES: CCc1ccccc1OCCN(C(=O)CCN1CCCO1)C
• InChI: InChI=1S/C17H26N2O3/c1-3-15-7-4-5-8-16(15)21-14-12-18(2)17(20)9-11-19-10-6-13-22-19/h4-5,7-8H,3,6,9-14H2,1-2H3
• InChIKey: QXDIDAHHJBGHGI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(2-ethylphenoxy)ethyl]-N-methyl-3-(1,2-oxazolidin-2-yl)propanamide
• IUPAC传统名: N-[2-(2-ethylphenoxy)ethyl]-N-methyl-3-(1,2-oxazolidin-2-yl)propanamide
• 别名: N-[2-(2-ethylphenoxy)ethyl]-3-isoxazolidin-2-yl-N-methylpropanamide

理论计算性质

Provided by Chembridge

• 质子供体: 0
• Log P: 3.38
• LOG S: -4.32
• 极化表面积: 42.01 Å^2
• 可自由旋转的化学键: 8
• 质子受体: 4

JChem

• LogD (pH = 5.5): 1.6489089
• LogD (pH = 7.4): 1.6491119
• Log P: 1.6491145
• 摩尔折射率: 86.4307 cm^3
• 极化性: 33.88385 Å^3
• 极化表面积: 42.01 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true
• 质子受体: 4
• 质子供体: 0