(3E)-N-[(2E)-3-phenylprop-2-en-1-yl]-N-propylpent-3-enamide

• ChemBase ID: 498150
• Molecular Formular: C17H23NO
• Molecular Mass: 257.37062
• Monoisotopic Mass: 257.17796436
• SMILES: C(=O)(N(C/C=C/c1ccccc1)CCC)C/C=C/C
• Canonical SMILES: CCCN(C(=O)C/C=C/C)C/C=C/c1ccccc1
• InChI: InChI=1S/C17H23NO/c1-3-5-13-17(19)18(14-4-2)15-9-12-16-10-7-6-8-11-16/h3,5-12H,4,13-15H2,1-2H3/b5-3+,12-9+
• InChIKey: JRPKXSSCOFAQOG-OYTCOTEHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3E)-N-[(2E)-3-phenylprop-2-en-1-yl]-N-propylpent-3-enamide
• IUPAC Traditional name: (3E)-N-[(2E)-3-phenylprop-2-en-1-yl]-N-propylpent-3-enamide
• Synonyms: (3E)-N-[(2E)-3-phenylprop-2-en-1-yl]-N-propylpent-3-enamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.858534
• LogD (pH = 7.4): 3.8585346
• Log P: 3.8585346
• Molar Refractivity: 83.4086 cm^3
• Polarizability: 31.433859 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 0
• Log P: 3.93
• LOG S: -4.43
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 7