N'-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(prop-2-en-1-yl)propanediamide

• ChemBase ID: 612193
• Molecular Formular: C19H22N2O4
• Molecular Mass: 342.38898
• Monoisotopic Mass: 342.15795719
• SMILES: C(=O)(CC(=O)Nc1c(OCC)cccc1)N(Cc1occc1)CC=C
• Canonical SMILES: C=CCN(C(=O)CC(=O)Nc1ccccc1OCC)Cc1ccco1
• InChI: InChI=1S/C19H22N2O4/c1-3-11-21(14-15-8-7-12-25-15)19(23)13-18(22)20-16-9-5-6-10-17(16)24-4-2/h3,5-10,12H,1,4,11,13-14H2,2H3,(H,20,22)
• InChIKey: IJXGEBLZSMDCNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(prop-2-en-1-yl)propanediamide
• IUPAC Traditional name: N'-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(prop-2-en-1-yl)propanediamide
• Synonyms: N-allyl-N'-(2-ethoxyphenyl)-N-(2-furylmethyl)malonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.156395
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4587004
• LogD (pH = 7.4): 2.4586933
• Log P: 2.4587004
• Molar Refractivity: 96.2587 cm^3
• Polarizability: 36.210682 Å^3
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.31
• LOG S: -3.67
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 9