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

• ChemBase ID: 791865
• Molecular Formular: C21H23N3O4
• Molecular Mass: 381.42502
• Monoisotopic Mass: 381.16885623
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)NCCc1cc(Oc2ccccc2)ccc1)C)C
• Canonical SMILES: O=C(CC1N(C)C(=O)N(C1=O)C)NCCc1cccc(c1)Oc1ccccc1
• InChI: InChI=1S/C21H23N3O4/c1-23-18(20(26)24(2)21(23)27)14-19(25)22-12-11-15-7-6-10-17(13-15)28-16-8-4-3-5-9-16/h3-10,13,18H,11-12,14H2,1-2H3,(H,22,25)
• InChIKey: VPQFHBYQGPXONJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.183942
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.854239
• LogD (pH = 7.4): 1.8542389
• Log P: 1.854239
• Molar Refractivity: 103.6961 cm^3
• Polarizability: 40.13952 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.58
• LOG S: -3.33
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 7