3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-5-(piperidin-4-yl)imidazolidine-2,4-dione

• ChemBase ID: 617175
• Molecular Formular: C19H27N3O4
• Molecular Mass: 361.43538
• Monoisotopic Mass: 361.20015636
• SMILES: N1(C(=O)NC(C1=O)(C1CCNCC1)C)CCc1cc(c(cc1)OC)OC
• Canonical SMILES: COc1ccc(cc1OC)CCN1C(=O)NC(C1=O)(C)C1CCNCC1
• InChI: InChI=1S/C19H27N3O4/c1-19(14-6-9-20-10-7-14)17(23)22(18(24)21-19)11-8-13-4-5-15(25-2)16(12-13)26-3/h4-5,12,14,20H,6-11H2,1-3H3,(H,21,24)
• InChIKey: QEIBBVTZINQRGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-5-(piperidin-4-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-5-(piperidin-4-yl)imidazolidine-2,4-dione
• Synonyms: 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-5-piperidin-4-ylimidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.3783245
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.000786
• LogD (pH = 7.4): -1.3307859
• Log P: 1.0050622
• Molar Refractivity: 97.6698 cm^3
• Polarizability: 38.130314 Å^3
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.79
• LOG S: -3.36
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 6