5-ethyl-3-(2-methylprop-2-en-1-yl)-5-[1-(2-phenoxyacetyl)piperidin-4-yl]imidazolidine-2,4-dione

• ChemBase ID: 353954
• Molecular Formular: C22H29N3O4
• Molecular Mass: 399.48336
• Monoisotopic Mass: 399.21580642
• SMILES: N1(C(=O)NC(C1=O)(C1CCN(C(=O)COc2ccccc2)CC1)CC)CC(=C)C
• Canonical SMILES: CCC1(NC(=O)N(C1=O)CC(=C)C)C1CCN(CC1)C(=O)COc1ccccc1
• InChI: InChI=1S/C22H29N3O4/c1-4-22(20(27)25(14-16(2)3)21(28)23-22)17-10-12-24(13-11-17)19(26)15-29-18-8-6-5-7-9-18/h5-9,17H,2,4,10-15H2,1,3H3,(H,23,28)
• InChIKey: SPNLFIQCJMWZOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-3-(2-methylprop-2-en-1-yl)-5-[1-(2-phenoxyacetyl)piperidin-4-yl]imidazolidine-2,4-dione
• IUPAC Traditional name: 5-ethyl-3-(2-methylprop-2-en-1-yl)-5-[1-(2-phenoxyacetyl)piperidin-4-yl]imidazolidine-2,4-dione
• Synonyms: 5-ethyl-3-(2-methyl-2-propen-1-yl)-5-[1-(phenoxyacetyl)-4-piperidinyl]-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.377801
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1465154
• LogD (pH = 7.4): 2.1464708
• Log P: 2.146516
• Molar Refractivity: 108.8725 cm^3
• Polarizability: 42.41525 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: 2.31
• LOG S: -3.89
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 6