N-(2-{1-[(2E)-3-phenylprop-2-en-1-yl]-1,2,5,6-tetrahydropyridin-3-yl}ethyl)acetamide

• ChemBase ID: 351238
• Molecular Formular: C18H24N2O
• Molecular Mass: 284.39596
• Monoisotopic Mass: 284.1888634
• SMILES: N1(CC(=CCC1)CCNC(=O)C)C/C=C/c1ccccc1
• Canonical SMILES: CC(=O)NCCC1=CCCN(C1)C/C=C/c1ccccc1
• InChI: InChI=1S/C18H24N2O/c1-16(21)19-12-11-18-10-6-14-20(15-18)13-5-9-17-7-3-2-4-8-17/h2-5,7-10H,6,11-15H2,1H3,(H,19,21)/b9-5+
• InChIKey: JDZFZTNIKOCKFS-WEVVVXLNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{1-[(2E)-3-phenylprop-2-en-1-yl]-1,2,5,6-tetrahydropyridin-3-yl}ethyl)acetamide
• IUPAC Traditional name: N-(2-{1-[(2E)-3-phenylprop-2-en-1-yl]-5,6-dihydro-2H-pyridin-3-yl}ethyl)acetamide
• Synonyms: N-(2-{1-[(2E)-3-phenylprop-2-en-1-yl]-1,2,5,6-tetrahydropyridin-3-yl}ethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.076653
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5710319
• LogD (pH = 7.4): 1.2015239
• Log P: 2.1321263
• Molar Refractivity: 89.9369 cm^3
• Polarizability: 34.060047 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.05
• LOG S: -3.02
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 6