N-ethyl-3-(1,2-oxazolidin-2-yl)-N-[(2E)-3-phenylprop-2-en-1-yl]propanamide

• ChemBase ID: 548867
• Molecular Formular: C17H24N2O2
• Molecular Mass: 288.38466
• Monoisotopic Mass: 288.18377802
• SMILES: C(=O)(CCN1OCCC1)N(C/C=C/c1ccccc1)CC
• Canonical SMILES: CCN(C(=O)CCN1CCCO1)C/C=C/c1ccccc1
• InChI: InChI=1S/C17H24N2O2/c1-2-18(12-6-10-16-8-4-3-5-9-16)17(20)11-14-19-13-7-15-21-19/h3-6,8-10H,2,7,11-15H2,1H3/b10-6+
• InChIKey: IYQNVCAPCZQKNV-UXBLZVDNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3-(1,2-oxazolidin-2-yl)-N-[(2E)-3-phenylprop-2-en-1-yl]propanamide
• IUPAC Traditional name: N-ethyl-3-(1,2-oxazolidin-2-yl)-N-[(2E)-3-phenylprop-2-en-1-yl]propanamide
• Synonyms: N-ethyl-3-isoxazolidin-2-yl-N-[(2E)-3-phenylprop-2-en-1-yl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7380934
• LogD (pH = 7.4): 1.7382693
• Log P: 1.7382716
• Molar Refractivity: 85.9161 cm^3
• Polarizability: 33.120163 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.9
• LOG S: -3.78
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7