N-{[1-(morpholin-4-yl)cyclohexyl]methyl}benzamide

• ChemBase ID: 71659
• Molecular Formular: C18H26N2O2
• Molecular Mass: 302.41124
• Monoisotopic Mass: 302.19942808
• SMILES: N1(C2(CNC(=O)c3ccccc3)CCCCC2)CCOCC1
• Canonical SMILES: O=C(c1ccccc1)NCC1(CCCCC1)N1CCOCC1
• InChI: InChI=1S/C18H26N2O2/c21-17(16-7-3-1-4-8-16)19-15-18(9-5-2-6-10-18)20-11-13-22-14-12-20/h1,3-4,7-8H,2,5-6,9-15H2,(H,19,21)
• InChIKey: AZMSPDRUYHTCCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(morpholin-4-yl)cyclohexyl]methyl}benzamide
• IUPAC Traditional name: N-{[1-(morpholin-4-yl)cyclohexyl]methyl}benzamide
• Synonyms: N-[(1-Morpholin-4-ylcyclohexyl)methyl]benzamide

Database IDs

• PubChem SID: 162103673
• PubChem CID: 16015633

CALCULATED PROPERTIES

• Acid pKa: 14.9834385
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7951704
• LogD (pH = 7.4): 2.327204
• Log P: 2.5707455
• Molar Refractivity: 88.0305 cm^3
• Polarizability: 34.177612 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT