2-(naphthalen-2-yloxy)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide

• ChemBase编号: 474511
• 分子式: C18H20N2O4
• 平均质量: 328.3624
• 单一同位素质量: 328.14230713
• SMILES: C1(=O)N(CCNC(=O)C(Oc2cc3c(cc2)cccc3)C)CCO1
• Canonical SMILES: O=C(C(Oc1ccc2c(c1)cccc2)C)NCCN1CCOC1=O
• InChI: InChI=1S/C18H20N2O4/c1-13(17(21)19-8-9-20-10-11-23-18(20)22)24-16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12-13H,8-11H2,1H3,(H,19,21)
• InChIKey: WHMKKKLVQHGAKS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(naphthalen-2-yloxy)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide
• IUPAC传统名: 2-(naphthalen-2-yloxy)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide
• 别名: 2-(2-naphthyloxy)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide

理论计算性质

JChem

• Acid pKa: 15.063025
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.9618374
• LogD (pH = 7.4): 1.9618374
• Log P: 1.9618374
• 摩尔折射率: 88.2137 cm^3
• 极化性: 35.615063 Å^3
• 极化表面积: 67.87 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: 4
• 质子供体: 1
• Log P: 2.3
• LOG S: -3.56
• 极化表面积: 67.87 Å^2
• 可自由旋转的化学键: 6