N-[3-(cyclohexyloxy)-2-hydroxypropyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 746608
• Molecular Formular: C20H29N3O4
• Molecular Mass: 375.46196
• Monoisotopic Mass: 375.21580642
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NCC(COC2CCCCC2)O)ccc1C
• Canonical SMILES: OC(CNC(=O)c1ccc(c(c1)N1CCNC1=O)C)COC1CCCCC1
• InChI: InChI=1S/C20H29N3O4/c1-14-7-8-15(11-18(14)23-10-9-21-20(23)26)19(25)22-12-16(24)13-27-17-5-3-2-4-6-17/h7-8,11,16-17,24H,2-6,9-10,12-13H2,1H3,(H,21,26)(H,22,25)
• InChIKey: NCJLTFGDNXAZMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(cyclohexyloxy)-2-hydroxypropyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-[3-(cyclohexyloxy)-2-hydroxypropyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-[3-(cyclohexyloxy)-2-hydroxypropyl]-4-methyl-3-(2-oxo-1-imidazolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.009758
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.5033255
• LogD (pH = 7.4): 1.5033256
• Log P: 1.5033257
• Molar Refractivity: 102.6778 cm^3
• Polarizability: 39.24498 Å^3
• Polar Surface Area: 90.9 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.53
• LOG S: -3.24
• Polar Surface Area: 90.9 Å^2
• Rotatable Bonds: 7