N,N-diethyl-2-(6-methoxynaphthalen-2-yl)morpholine-4-carboxamide

• ChemBase编号: 533801
• 分子式: C20H26N2O3
• 平均质量: 342.43204
• 单一同位素质量: 342.1943427
• SMILES: C(=O)(N1CC(c2cc3c(cc(cc3)OC)cc2)OCC1)N(CC)CC
• Canonical SMILES: CCN(C(=O)N1CCOC(C1)c1ccc2c(c1)ccc(c2)OC)CC
• InChI: InChI=1S/C20H26N2O3/c1-4-21(5-2)20(23)22-10-11-25-19(14-22)17-7-6-16-13-18(24-3)9-8-15(16)12-17/h6-9,12-13,19H,4-5,10-11,14H2,1-3H3
• InChIKey: ZOYUUNCKXWGFLN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-diethyl-2-(6-methoxynaphthalen-2-yl)morpholine-4-carboxamide
• IUPAC传统名: N,N-diethyl-2-(6-methoxynaphthalen-2-yl)morpholine-4-carboxamide
• 别名: N,N-diethyl-2-(6-methoxy-2-naphthyl)morpholine-4-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.6420314
• LogD (pH = 7.4): 2.6420314
• Log P: 2.6420314
• 摩尔折射率: 98.4973 cm^3
• 极化性: 39.227848 Å^3
• 极化表面积: 42.01 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.91
• LOG S: -5.04
• 极化表面积: 42.01 Å^2
• 可自由旋转的化学键: 4