N'1-ethyl-N'1-{[2-(prop-2-en-1-yloxy)phenyl]methyl}cyclopropane-1,1-dicarboxamide

• ChemBase ID: 713805
• Molecular Formular: C17H22N2O3
• Molecular Mass: 302.36818
• Monoisotopic Mass: 302.16304257
• SMILES: C1(C(=O)N(Cc2c(OCC=C)cccc2)CC)(CC1)C(=O)N
• Canonical SMILES: C=CCOc1ccccc1CN(C(=O)C1(CC1)C(=O)N)CC
• InChI: InChI=1S/C17H22N2O3/c1-3-11-22-14-8-6-5-7-13(14)12-19(4-2)16(21)17(9-10-17)15(18)20/h3,5-8H,1,4,9-12H2,2H3,(H2,18,20)
• InChIKey: QJAWOONFMBGTKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'1-ethyl-N'1-{[2-(prop-2-en-1-yloxy)phenyl]methyl}cyclopropane-1,1-dicarboxamide
• IUPAC Traditional name: N'1-ethyl-N'1-{[2-(prop-2-en-1-yloxy)phenyl]methyl}cyclopropane-1,1-dicarboxamide
• Synonyms: N~1~-[2-(allyloxy)benzyl]-N~1~-ethylcyclopropane-1,1-dicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.852854
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7924839
• LogD (pH = 7.4): 1.7924839
• Log P: 1.7924839
• Molar Refractivity: 84.686 cm^3
• Polarizability: 32.70752 Å^3
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.7
• LOG S: -2.86
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 8