N-(2,2-dimethyloxan-4-yl)-N-ethyl-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 389164
• Molecular Formular: C20H29N3O3
• Molecular Mass: 359.46256
• Monoisotopic Mass: 359.2208918
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)N(C2CC(OCC2)(C)C)CC)ccc1C
• Canonical SMILES: CCN(C(=O)c1ccc(c(c1)N1CCNC1=O)C)C1CCOC(C1)(C)C
• InChI: InChI=1S/C20H29N3O3/c1-5-22(16-8-11-26-20(3,4)13-16)18(24)15-7-6-14(2)17(12-15)23-10-9-21-19(23)25/h6-7,12,16H,5,8-11,13H2,1-4H3,(H,21,25)
• InChIKey: APLNRRHZHFAZKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-dimethyloxan-4-yl)-N-ethyl-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-(2,2-dimethyloxan-4-yl)-N-ethyl-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-ethyl-4-methyl-3-(2-oxo-1-imidazolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.584643
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6201872
• LogD (pH = 7.4): 1.6201874
• Log P: 1.6201874
• Molar Refractivity: 101.8354 cm^3
• Polarizability: 38.60056 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.99
• LOG S: -2.67
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 4