N-butyl-2-(furan-2-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide

• ChemBase ID: 373576
• Molecular Formular: C15H17NO4
• Molecular Mass: 275.29978
• Monoisotopic Mass: 275.11575803
• SMILES: C(=O)(C(=O)N(Cc1occc1)CCCC)c1occc1
• Canonical SMILES: CCCCN(C(=O)C(=O)c1ccco1)Cc1ccco1
• InChI: InChI=1S/C15H17NO4/c1-2-3-8-16(11-12-6-4-9-19-12)15(18)14(17)13-7-5-10-20-13/h4-7,9-10H,2-3,8,11H2,1H3
• InChIKey: JETJCXYWAUUIKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-2-(furan-2-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide
• IUPAC Traditional name: N-butyl-2-(furan-2-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide
• Synonyms: N-butyl-2-(2-furyl)-N-(2-furylmethyl)-2-oxoacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2997625
• LogD (pH = 7.4): 2.2997625
• Log P: 2.2997625
• Molar Refractivity: 73.1393 cm^3
• Polarizability: 27.847267 Å^3
• Polar Surface Area: 63.66 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.86
• LOG S: -2.8
• Polar Surface Area: 63.66 Å^2
• Rotatable Bonds: 7