N-cyclopropyl-2-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetamide

• ChemBase编号: 367227
• 分子式: C20H24N2O3
• 平均质量: 340.41616
• 单一同位素质量: 340.17869264
• SMILES: N1(CC(c2cc3c(cc(cc3)OC)cc2)OCC1)CC(=O)NC1CC1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)CC(=O)NC1CC1
• InChI: InChI=1S/C20H24N2O3/c1-24-18-7-4-14-10-16(3-2-15(14)11-18)19-12-22(8-9-25-19)13-20(23)21-17-5-6-17/h2-4,7,10-11,17,19H,5-6,8-9,12-13H2,1H3,(H,21,23)
• InChIKey: ZYPWICRDGAEGOL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-2-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetamide
• IUPAC传统名: N-cyclopropyl-2-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetamide
• 别名: N-cyclopropyl-2-[2-(6-methoxy-2-naphthyl)morpholin-4-yl]acetamide

理论计算性质

JChem

• Acid pKa: 15.404286
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 1.53715
• LogD (pH = 7.4): 1.9394627
• Log P: 1.947996
• 摩尔折射率: 96.2735 cm^3
• 极化性: 38.891514 Å^3
• 极化表面积: 50.8 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: 1
• Log P: 2.75
• LOG S: -4.03
• 极化表面积: 50.8 Å^2
• 可自由旋转的化学键: 5