N-methyl-2-[4-(propan-2-yl)morpholin-2-yl]-N-(thiophen-3-ylmethyl)acetamide

• ChemBase编号: 846472
• 分子式: C15H24N2O2S
• 平均质量: 296.42826
• 单一同位素质量: 296.15584902
• SMILES: C(=O)(CC1CN(C(C)C)CCO1)N(Cc1cscc1)C
• Canonical SMILES: O=C(N(Cc1cscc1)C)CC1OCCN(C1)C(C)C
• InChI: InChI=1S/C15H24N2O2S/c1-12(2)17-5-6-19-14(10-17)8-15(18)16(3)9-13-4-7-20-11-13/h4,7,11-12,14H,5-6,8-10H2,1-3H3
• InChIKey: URBRWTJVXTYEIW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-2-[4-(propan-2-yl)morpholin-2-yl]-N-(thiophen-3-ylmethyl)acetamide
• IUPAC传统名: 2-(4-isopropylmorpholin-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
• 别名: 2-(4-isopropylmorpholin-2-yl)-N-methyl-N-(3-thienylmethyl)acetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.29233798
• LogD (pH = 7.4): 1.3304168
• Log P: 1.6651397
• 摩尔折射率: 82.0182 cm^3
• 极化性: 31.937817 Å^3
• 极化表面积: 32.78 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: 3
• 质子供体: 0
• Log P: 1.23
• LOG S: -2.41
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 5