4-(2,4-dioxoimidazolidin-1-yl)-N-[3-(pyridin-3-yloxy)propyl]benzamide

• ChemBase ID: 557218
• Molecular Formular: C18H18N4O4
• Molecular Mass: 354.35992
• Monoisotopic Mass: 354.13280508
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NCCCOc2cnccc2)cc1
• Canonical SMILES: O=C1NC(=O)N(C1)c1ccc(cc1)C(=O)NCCCOc1cccnc1
• InChI: InChI=1S/C18H18N4O4/c23-16-12-22(18(25)21-16)14-6-4-13(5-7-14)17(24)20-9-2-10-26-15-3-1-8-19-11-15/h1,3-8,11H,2,9-10,12H2,(H,20,24)(H,21,23,25)
• InChIKey: BUEICAPBPNTKEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[3-(pyridin-3-yloxy)propyl]benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[3-(pyridin-3-yloxy)propyl]benzamide
• Synonyms: 4-(2,4-dioxo-1-imidazolidinyl)-N-[3-(3-pyridinyloxy)propyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.06452
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.077907816
• LogD (pH = 7.4): -0.01810097
• Log P: -0.007932674
• Molar Refractivity: 92.9562 cm^3
• Polarizability: 35.32095 Å^3
• Polar Surface Area: 100.63 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.55
• LOG S: -2.25
• Polar Surface Area: 100.63 Å^2
• Rotatable Bonds: 7