N-[2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

• ChemBase ID: 731068
• Molecular Formular: C15H17N3O5
• Molecular Mass: 319.31258
• Monoisotopic Mass: 319.11682066
• SMILES: N1(C(=O)NCC1=O)CC(=O)NCCC1Oc2c(OC1)cccc2
• Canonical SMILES: O=C(CN1C(=O)CNC1=O)NCCC1COc2c(O1)cccc2
• InChI: InChI=1S/C15H17N3O5/c19-13(8-18-14(20)7-17-15(18)21)16-6-5-10-9-22-11-3-1-2-4-12(11)23-10/h1-4,10H,5-9H2,(H,16,19)(H,17,21)
• InChIKey: YHPYWOBLRJVVPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
• IUPAC Traditional name: N-[2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
• Synonyms: N-[2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]-2-(2,5-dioxo-1-imidazolidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.763737
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.8972477
• LogD (pH = 7.4): -0.89726603
• Log P: -0.89724743
• Molar Refractivity: 78.3283 cm^3
• Polarizability: 30.556023 Å^3
• Polar Surface Area: 96.97 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.5
• LOG S: -2.41
• Polar Surface Area: 96.97 Å^2
• Rotatable Bonds: 5