2-(2,5-dioxoimidazolidin-1-yl)-N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]acetamide

• ChemBase ID: 862364
• Molecular Formular: C15H19N3O5
• Molecular Mass: 321.32846
• Monoisotopic Mass: 321.13247072
• SMILES: N1(C(=O)NCC1=O)CC(=O)N(CC(c1cc(O)ccc1)O)CC
• Canonical SMILES: CCN(C(=O)CN1C(=O)CNC1=O)CC(c1cccc(c1)O)O
• InChI: InChI=1S/C15H19N3O5/c1-2-17(8-12(20)10-4-3-5-11(19)6-10)14(22)9-18-13(21)7-16-15(18)23/h3-6,12,19-20H,2,7-9H2,1H3,(H,16,23)
• InChIKey: ALIINGBLSAJSSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-1-yl)-N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-1-yl)-N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]acetamide
• Synonyms: 2-(2,5-dioxo-1-imidazolidinyl)-N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.360542
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.9608303
• LogD (pH = 7.4): -0.9654727
• Log P: -0.9607708
• Molar Refractivity: 80.9476 cm^3
• Polarizability: 31.136337 Å^3
• Polar Surface Area: 110.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -0.79
• LOG S: -1.6
• Polar Surface Area: 110.18 Å^2
• Rotatable Bonds: 6