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

• ChemBase ID: 524796
• Molecular Formular: C19H27N3O4
• Molecular Mass: 361.43538
• Monoisotopic Mass: 361.20015636
• SMILES: N1(C(=O)NC(C1=O)(C1CCNCC1)C)CCOc1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1OCCN1C(=O)NC(C1=O)(C)C1CCNCC1
• InChI: InChI=1S/C19H27N3O4/c1-3-25-15-6-4-5-7-16(15)26-13-12-22-17(23)19(2,21-18(22)24)14-8-10-20-11-9-14/h4-7,14,20H,3,8-13H2,1-2H3,(H,21,24)
• InChIKey: OMYUDAJWTQHSJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.383885
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.8553917
• LogD (pH = 7.4): -1.1853935
• Log P: 1.1523521
• Molar Refractivity: 97.1398 cm^3
• Polarizability: 38.13277 Å^3
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.13
• LOG S: -3.65
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 7