N-(1-{1-[(2E)-but-2-en-1-yl]-1,2,3,6-tetrahydropyridin-4-yl}propyl)-2-methoxyacetamide

• ChemBase ID: 833300
• Molecular Formular: C15H26N2O2
• Molecular Mass: 266.37914
• Monoisotopic Mass: 266.19942808
• SMILES: C1(=CCN(CC1)C/C=C/C)C(NC(=O)COC)CC
• Canonical SMILES: COCC(=O)NC(C1=CCN(CC1)C/C=C/C)CC
• InChI: InChI=1S/C15H26N2O2/c1-4-6-9-17-10-7-13(8-11-17)14(5-2)16-15(18)12-19-3/h4,6-7,14H,5,8-12H2,1-3H3,(H,16,18)/b6-4+
• InChIKey: DZQZXSOYODXIKT-GQCTYLIASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{1-[(2E)-but-2-en-1-yl]-1,2,3,6-tetrahydropyridin-4-yl}propyl)-2-methoxyacetamide
• IUPAC Traditional name: N-(1-{1-[(2E)-but-2-en-1-yl]-3,6-dihydro-2H-pyridin-4-yl}propyl)-2-methoxyacetamide
• Synonyms: N-(1-{1-[(2E)-but-2-en-1-yl]-1,2,3,6-tetrahydropyridin-4-yl}propyl)-2-methoxyacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.372781
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2274095
• LogD (pH = 7.4): 0.54660416
• Log P: 1.391937
• Molar Refractivity: 80.4831 cm^3
• Polarizability: 30.57244 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.01
• LOG S: -2.86
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7