N-(2-hydroxyethyl)-3-(1,2-oxazinan-2-yl)-N-[(2E)-3-phenylprop-2-en-1-yl]propanamide

• ChemBase ID: 745747
• Molecular Formular: C18H26N2O3
• Molecular Mass: 318.41064
• Monoisotopic Mass: 318.1943427
• SMILES: C(=O)(CCN1OCCCC1)N(C/C=C/c1ccccc1)CCO
• Canonical SMILES: OCCN(C(=O)CCN1CCCCO1)C/C=C/c1ccccc1
• InChI: InChI=1S/C18H26N2O3/c21-15-14-19(11-6-9-17-7-2-1-3-8-17)18(22)10-13-20-12-4-5-16-23-20/h1-3,6-9,21H,4-5,10-16H2/b9-6+
• InChIKey: DKKNGOWFJSQHIE-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.573606
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2080549
• LogD (pH = 7.4): 1.2087159
• Log P: 1.2087243
• Molar Refractivity: 92.1044 cm^3
• Polarizability: 35.575615 Å^3
• Polar Surface Area: 53.01 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.73
• LOG S: -3.85
• Polar Surface Area: 53.01 Å^2
• Rotatable Bonds: 8