N-methyl-2-(2-methyl-1H-imidazol-1-yl)-N-{[1-(piperidin-1-yl)cyclohexyl]methyl}propanamide

• ChemBase ID: 725445
• Molecular Formular: C20H34N4O
• Molecular Mass: 346.51016
• Monoisotopic Mass: 346.27326173
• SMILES: n1(C(C(=O)N(CC2(N3CCCCC3)CCCCC2)C)C)c(ncc1)C
• Canonical SMILES: O=C(C(n1ccnc1C)C)N(CC1(CCCCC1)N1CCCCC1)C
• InChI: InChI=1S/C20H34N4O/c1-17(24-15-12-21-18(24)2)19(25)22(3)16-20(10-6-4-7-11-20)23-13-8-5-9-14-23/h12,15,17H,4-11,13-14,16H2,1-3H3
• InChIKey: OATRBZMYQUGOHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(2-methyl-1H-imidazol-1-yl)-N-{[1-(piperidin-1-yl)cyclohexyl]methyl}propanamide
• IUPAC Traditional name: N-methyl-2-(2-methylimidazol-1-yl)-N-{[1-(piperidin-1-yl)cyclohexyl]methyl}propanamide
• Synonyms: N-methyl-2-(2-methyl-1H-imidazol-1-yl)-N-{[1-(1-piperidinyl)cyclohexyl]methyl}propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.9256605
• LogD (pH = 7.4): 0.075483836
• Log P: 2.4807236
• Molar Refractivity: 101.6092 cm^3
• Polarizability: 39.647667 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.51
• LOG S: -3.87
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 5