N,N-dimethyl-2-{4-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]morpholin-3-yl}acetamide

• ChemBase编号: 598096
• 分子式: C21H26N2O5
• 平均质量: 386.44154
• 单一同位素质量: 386.18417194
• SMILES: c1(C(=O)N2C(CC(=O)N(C)C)COCC2)c(cc(o1)COc1ccccc1)C
• Canonical SMILES: O=C(N(C)C)CC1COCCN1C(=O)c1oc(cc1C)COc1ccccc1
• InChI: InChI=1S/C21H26N2O5/c1-15-11-18(14-27-17-7-5-4-6-8-17)28-20(15)21(25)23-9-10-26-13-16(23)12-19(24)22(2)3/h4-8,11,16H,9-10,12-14H2,1-3H3
• InChIKey: OCOCUHJTOQYJKA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-2-{4-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]morpholin-3-yl}acetamide
• IUPAC传统名: N,N-dimethyl-2-{4-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]morpholin-3-yl}acetamide
• 别名: N,N-dimethyl-2-{4-[3-methyl-5-(phenoxymethyl)-2-furoyl]-3-morpholinyl}acetamide

理论计算性质

JChem

• 摩尔折射率: 104.4595 cm^3
• 极化性: 39.85173 Å^3
• 极化表面积: 72.22 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.5283813
• LogD (pH = 7.4): 1.5283815
• Log P: 1.5283815

Provided by Chembridge

• 极化表面积: 72.22 Å^2
• 可自由旋转的化学键: 6
• 质子受体: 5
• 质子供体: 0
• Log P: 1.13
• LOG S: -2.98