N-{2-[2-(hydroxymethyl)piperidin-1-yl]ethyl}-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 317281
• Molecular Formular: C19H28N4O3
• Molecular Mass: 360.45062
• Monoisotopic Mass: 360.21614078
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NCCN2C(CO)CCCC2)ccc1C
• Canonical SMILES: OCC1CCCCN1CCNC(=O)c1ccc(c(c1)N1CCNC1=O)C
• InChI: InChI=1S/C19H28N4O3/c1-14-5-6-15(12-17(14)23-11-8-21-19(23)26)18(25)20-7-10-22-9-3-2-4-16(22)13-24/h5-6,12,16,24H,2-4,7-11,13H2,1H3,(H,20,25)(H,21,26)
• InChIKey: HCMOLJIBIYBPAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[2-(hydroxymethyl)piperidin-1-yl]ethyl}-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-{2-[2-(hydroxymethyl)piperidin-1-yl]ethyl}-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-{2-[2-(hydroxymethyl)-1-piperidinyl]ethyl}-4-methyl-3-(2-oxo-1-imidazolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.636721
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.8961581
• LogD (pH = 7.4): -0.12714924
• Log P: 0.6200413
• Molar Refractivity: 100.7812 cm^3
• Polarizability: 38.22169 Å^3
• Polar Surface Area: 84.91 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.25
• LOG S: -3.35
• Polar Surface Area: 84.91 Å^2
• Rotatable Bonds: 6