1-[3-ethoxy-4-(prop-2-en-1-yloxy)benzoyl]imidazolidin-4-one

• ChemBase ID: 338046
• Molecular Formular: C15H18N2O4
• Molecular Mass: 290.31442
• Monoisotopic Mass: 290.12665707
• SMILES: N1(C(=O)c2cc(c(cc2)OCC=C)OCC)CNC(=O)C1
• Canonical SMILES: C=CCOc1ccc(cc1OCC)C(=O)N1CNC(=O)C1
• InChI: InChI=1S/C15H18N2O4/c1-3-7-21-12-6-5-11(8-13(12)20-4-2)15(19)17-9-14(18)16-10-17/h3,5-6,8H,1,4,7,9-10H2,2H3,(H,16,18)
• InChIKey: YMHDFFLXWPNQPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-ethoxy-4-(prop-2-en-1-yloxy)benzoyl]imidazolidin-4-one
• IUPAC Traditional name: 1-[3-ethoxy-4-(prop-2-en-1-yloxy)benzoyl]imidazolidin-4-one
• Synonyms: 1-[4-(allyloxy)-3-ethoxybenzoyl]imidazolidin-4-one

CALCULATED PROPERTIES

JChem

• Log P: 0.87724626
• Molar Refractivity: 77.4115 cm^3
• Polarizability: 29.524195 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 11.057389
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8772452
• LogD (pH = 7.4): 0.87716156

供应商提供(Chembridge)

• Log P: 1.26
• LOG S: -2.39
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 1