N-[2-(benzyloxy)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide

• ChemBase ID: 618076
• Molecular Formular: C15H19N3O4
• Molecular Mass: 305.32906
• Monoisotopic Mass: 305.1375561
• SMILES: N1C(=O)NC(C1=O)CCC(=O)NCCOCc1ccccc1
• Canonical SMILES: O=C(CCC1NC(=O)NC1=O)NCCOCc1ccccc1
• InChI: InChI=1S/C15H19N3O4/c19-13(7-6-12-14(20)18-15(21)17-12)16-8-9-22-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,19)(H2,17,18,20,21)
• InChIKey: XMWDYLVWMLWLQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(benzyloxy)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
• IUPAC Traditional name: N-[2-(benzyloxy)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
• Synonyms: N-[2-(benzyloxy)ethyl]-3-(2,5-dioxo-4-imidazolidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.637181
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.14040722
• LogD (pH = 7.4): -0.1428553
• Log P: -0.14037587
• Molar Refractivity: 78.7054 cm^3
• Polarizability: 30.552423 Å^3
• Polar Surface Area: 96.53 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.38
• LOG S: -2.41
• Polar Surface Area: 96.53 Å^2
• Rotatable Bonds: 8