(1s,4s)-4-hydroxy-N-[1-(4-methyl-1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide

• ChemBase ID: 492445
• Molecular Formular: C14H23N3O2
• Molecular Mass: 265.35132
• Monoisotopic Mass: 265.17902699
• SMILES: n1c([nH]cc1C)C(NC(=O)[C@@H]1CC[C@@H](CC1)O)CC
• Canonical SMILES: CCC(c1[nH]cc(n1)C)NC(=O)[C@@H]1CC[C@@H](CC1)O
• InChI: InChI=1S/C14H23N3O2/c1-3-12(13-15-8-9(2)16-13)17-14(19)10-4-6-11(18)7-5-10/h8,10-12,18H,3-7H2,1-2H3,(H,15,16)(H,17,19)/t10-,11+,12?
• InChIKey: PFYCKIDCRGTSDB-FOSCPWQOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1s,4s)-4-hydroxy-N-[1-(4-methyl-1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide
• IUPAC Traditional name: (1s,4s)-4-hydroxy-N-[1-(4-methyl-1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide
• Synonyms: cis-4-hydroxy-N-[1-(4-methyl-1H-imidazol-2-yl)propyl]cyclohexanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.18166
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.24158192
• LogD (pH = 7.4): 0.8055964
• Log P: 0.82199776
• Molar Refractivity: 72.7381 cm^3
• Polarizability: 28.433743 Å^3
• Polar Surface Area: 78.01 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 0.2
• LOG S: -2.62
• Polar Surface Area: 78.01 Å^2
• Rotatable Bonds: 4