diethyl({[2-ethyl-5-(3-propylmorpholine-4-carbonyl)furan-3-yl]methyl})amine

• ChemBase编号: 698992
• 分子式: C19H32N2O3
• 平均质量: 336.46898
• 单一同位素质量: 336.24129289
• SMILES: c1(C(=O)N2C(COCC2)CCC)oc(c(c1)CN(CC)CC)CC
• Canonical SMILES: CCCC1COCCN1C(=O)c1oc(c(c1)CN(CC)CC)CC
• InChI: InChI=1S/C19H32N2O3/c1-5-9-16-14-23-11-10-21(16)19(22)18-12-15(17(6-2)24-18)13-20(7-3)8-4/h12,16H,5-11,13-14H2,1-4H3
• InChIKey: MUMXOLIUKRQEDU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: diethyl({[2-ethyl-5-(3-propylmorpholine-4-carbonyl)furan-3-yl]methyl})amine
• IUPAC传统名: diethyl({[2-ethyl-5-(3-propylmorpholine-4-carbonyl)furan-3-yl]methyl})amine
• 别名: N-ethyl-N-({2-ethyl-5-[(3-propylmorpholin-4-yl)carbonyl]-3-furyl}methyl)ethanamine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.23897788
• LogD (pH = 7.4): 2.0131097
• Log P: 2.8737469
• 摩尔折射率: 97.6526 cm^3
• 极化性: 37.2254 Å^3
• 极化表面积: 45.92 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 3.4
• LOG S: -4.55
• 极化表面积: 45.92 Å^2
• 可自由旋转的化学键: 8