N-cyclohexyl-4-methoxy-N-methyl-3-{[1-(propan-2-yl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 667111
• Molecular Formular: C23H36N2O3
• Molecular Mass: 388.54354
• Monoisotopic Mass: 388.27259302
• SMILES: C(=O)(N(C1CCCCC1)C)c1cc(OC2CCN(CC2)C(C)C)c(cc1)OC
• Canonical SMILES: COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)N(C1CCCCC1)C
• InChI: InChI=1S/C23H36N2O3/c1-17(2)25-14-12-20(13-15-25)28-22-16-18(10-11-21(22)27-4)23(26)24(3)19-8-6-5-7-9-19/h10-11,16-17,19-20H,5-9,12-15H2,1-4H3
• InChIKey: XQBHSEDVSWNUPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-4-methoxy-N-methyl-3-{[1-(propan-2-yl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: N-cyclohexyl-3-[(1-isopropylpiperidin-4-yl)oxy]-4-methoxy-N-methylbenzamide
• Synonyms: N-cyclohexyl-3-[(1-isopropyl-4-piperidinyl)oxy]-4-methoxy-N-methylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.37999195
• LogD (pH = 7.4): 1.9957454
• Log P: 3.5553553
• Molar Refractivity: 113.4889 cm^3
• Polarizability: 44.045826 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.26
• LOG S: -3.7
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 4