3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-phenoxyethoxy)phenyl]propanamide

• ChemBase ID: 842540
• Molecular Formular: C20H21N3O5
• Molecular Mass: 383.39784
• Monoisotopic Mass: 383.14812079
• SMILES: N1C(=O)NC(C1=O)CCC(=O)Nc1c(OCCOc2ccccc2)cccc1
• Canonical SMILES: O=C1NC(=O)C(N1)CCC(=O)Nc1ccccc1OCCOc1ccccc1
• InChI: InChI=1S/C20H21N3O5/c24-18(11-10-16-19(25)23-20(26)22-16)21-15-8-4-5-9-17(15)28-13-12-27-14-6-2-1-3-7-14/h1-9,16H,10-13H2,(H,21,24)(H2,22,23,25,26)
• InChIKey: IPUSUATVJREEMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-phenoxyethoxy)phenyl]propanamide
• IUPAC Traditional name: 3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-phenoxyethoxy)phenyl]propanamide
• Synonyms: 3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-phenoxyethoxy)phenyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.634686
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 1.6860418
• LogD (pH = 7.4): 1.6835798
• Log P: 1.6860733
• Molar Refractivity: 101.6231 cm^3
• Polarizability: 38.94251 Å^3
• Polar Surface Area: 105.76 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 0.55
• LOG S: -2.46
• Polar Surface Area: 105.76 Å^2
• Rotatable Bonds: 9