N-[(2R,4R,6S)-2-cyclohexyl-6-[1-(2-methoxyethyl)-1H-imidazol-2-yl]oxan-4-yl]acetamide

• ChemBase ID: 335282
• Molecular Formular: C19H31N3O3
• Molecular Mass: 349.46774
• Monoisotopic Mass: 349.23654187
• SMILES: c1([C@H]2O[C@H](C[C@H](C2)NC(=O)C)C2CCCCC2)n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1[C@@H]1C[C@H](NC(=O)C)C[C@@H](O1)C1CCCCC1
• InChI: InChI=1S/C19H31N3O3/c1-14(23)21-16-12-17(15-6-4-3-5-7-15)25-18(13-16)19-20-8-9-22(19)10-11-24-2/h8-9,15-18H,3-7,10-13H2,1-2H3,(H,21,23)/t16-,17-,18+/m1/s1
• InChIKey: KDZXOMKOYPRUDV-KURKYZTESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2R,4R,6S)-2-cyclohexyl-6-[1-(2-methoxyethyl)-1H-imidazol-2-yl]oxan-4-yl]acetamide
• IUPAC Traditional name: N-[(2R,4R,6S)-2-cyclohexyl-6-[1-(2-methoxyethyl)imidazol-2-yl]oxan-4-yl]acetamide
• Synonyms: N-{(2R*,4R*,6S*)-2-cyclohexyl-6-[1-(2-methoxyethyl)-1H-imidazol-2-yl]tetrahydro-2H-pyran-4-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.709296
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0568669
• LogD (pH = 7.4): 1.389245
• Log P: 1.3964505
• Molar Refractivity: 95.8332 cm^3
• Polarizability: 37.673775 Å^3
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.29
• LOG S: -3.31
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 6