N-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 496858
• Molecular Formular: C19H19N3O4
• Molecular Mass: 353.37186
• Monoisotopic Mass: 353.1375561
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NCCc2cc3c(OCO3)cc2)ccc1
• Canonical SMILES: O=C1NCCN1c1cccc(c1)C(=O)NCCc1ccc2c(c1)OCO2
• InChI: InChI=1S/C19H19N3O4/c23-18(14-2-1-3-15(11-14)22-9-8-21-19(22)24)20-7-6-13-4-5-16-17(10-13)26-12-25-16/h1-5,10-11H,6-9,12H2,(H,20,23)(H,21,24)
• InChIKey: VUCRLSPTKJAZNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.593253
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5043118
• LogD (pH = 7.4): 1.5043119
• Log P: 1.504312
• Molar Refractivity: 94.7509 cm^3
• Polarizability: 36.061245 Å^3
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.11
• LOG S: -2.73
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 5