3-ethoxy-4-(prop-2-en-1-yloxy)-N-[1-(pyridin-4-yl)propan-2-yl]benzamide

• ChemBase ID: 679502
• Molecular Formular: C20H24N2O3
• Molecular Mass: 340.41616
• Monoisotopic Mass: 340.17869264
• SMILES: C(=O)(c1cc(c(cc1)OCC=C)OCC)NC(Cc1ccncc1)C
• Canonical SMILES: C=CCOc1ccc(cc1OCC)C(=O)NC(Cc1ccncc1)C
• InChI: InChI=1S/C20H24N2O3/c1-4-12-25-18-7-6-17(14-19(18)24-5-2)20(23)22-15(3)13-16-8-10-21-11-9-16/h4,6-11,14-15H,1,5,12-13H2,2-3H3,(H,22,23)
• InChIKey: ZNAKQWBRYYFZSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxy-4-(prop-2-en-1-yloxy)-N-[1-(pyridin-4-yl)propan-2-yl]benzamide
• IUPAC Traditional name: 3-ethoxy-4-(prop-2-en-1-yloxy)-N-[1-(pyridin-4-yl)propan-2-yl]benzamide
• Synonyms: 4-(allyloxy)-3-ethoxy-N-(1-methyl-2-pyridin-4-ylethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.796401
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9161088
• LogD (pH = 7.4): 3.0305798
• Log P: 3.0323143
• Molar Refractivity: 98.5003 cm^3
• Polarizability: 37.69584 Å^3
• Polar Surface Area: 60.45 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: 2.95
• LOG S: -2.9
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 9