3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]-5-(piperidin-4-yl)imidazolidine-2,4-dione

• ChemBase ID: 513711
• Molecular Formular: C19H27N3O4
• Molecular Mass: 361.43538
• Monoisotopic Mass: 361.20015636
• SMILES: N1(C(=O)NC(C1=O)(Cc1cc(OC)ccc1)C1CCNCC1)CCOC
• Canonical SMILES: COCCN1C(=O)NC(C1=O)(Cc1cccc(c1)OC)C1CCNCC1
• InChI: InChI=1S/C19H27N3O4/c1-25-11-10-22-17(23)19(21-18(22)24,15-6-8-20-9-7-15)13-14-4-3-5-16(12-14)26-2/h3-5,12,15,20H,6-11,13H2,1-2H3,(H,21,24)
• InChIKey: DYQNLCKXUBXHNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 11.453491
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.2468991
• LogD (pH = 7.4): -1.5768995
• Log P: 0.78313935
• Molar Refractivity: 97.5015 cm^3
• Polarizability: 38.1449 Å^3
• Polar Surface Area: 79.9 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 7
• H Acceptors: 5
• H Donor: 2
• Log P: 1.48
• LOG S: -3.1
• Polar Surface Area: 79.9 Å^2