2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylacetamide

• ChemBase编号: 828585
• 分子式: C16H19NO3
• 平均质量: 273.32696
• 单一同位素质量: 273.13649347
• SMILES: C(=O)(N(Cc1oc(cc1)C)C)C(c1ccccc1)OC
• Canonical SMILES: COC(C(=O)N(Cc1ccc(o1)C)C)c1ccccc1
• InChI: InChI=1S/C16H19NO3/c1-12-9-10-14(20-12)11-17(2)16(18)15(19-3)13-7-5-4-6-8-13/h4-10,15H,11H2,1-3H3
• InChIKey: NISMTPFHWOQTLD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylacetamide
• IUPAC传统名: 2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylacetamide
• 别名: 2-methoxy-N-methyl-N-[(5-methyl-2-furyl)methyl]-2-phenylacetamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.1636527
• LogD (pH = 7.4): 2.1636527
• Log P: 2.1636527
• 摩尔折射率: 77.2238 cm^3
• 极化性: 29.651575 Å^3
• 极化表面积: 42.68 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: 2.71
• LOG S: -3.51
• 极化表面积: 42.68 Å^2
• 可自由旋转的化学键: 5