2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide

• ChemBase ID: 658825
• Molecular Formular: C18H28N2O2
• Molecular Mass: 304.42712
• Monoisotopic Mass: 304.21507815
• SMILES: c1(C(C(=O)NCC2(O)CCCCC2)N(C)C)cc(ccc1)C
• Canonical SMILES: CN(C(c1cccc(c1)C)C(=O)NCC1(O)CCCCC1)C
• InChI: InChI=1S/C18H28N2O2/c1-14-8-7-9-15(12-14)16(20(2)3)17(21)19-13-18(22)10-5-4-6-11-18/h7-9,12,16,22H,4-6,10-11,13H2,1-3H3,(H,19,21)
• InChIKey: ZZGLAMKBOIISOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide
• IUPAC Traditional name: 2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide
• Synonyms: 2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.378672
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7111074
• LogD (pH = 7.4): 2.2861013
• Log P: 2.5676742
• Molar Refractivity: 89.3868 cm^3
• Polarizability: 34.97261 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.53
• LOG S: -3.58
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 5