N-[(1-phenylcyclohexyl)methyl]morpholine-2-carboxamide

• ChemBase ID: 322987
• Molecular Formular: C18H26N2O2
• Molecular Mass: 302.41124
• Monoisotopic Mass: 302.19942808
• SMILES: C(=O)(C1OCCNC1)NCC1(c2ccccc2)CCCCC1
• Canonical SMILES: O=C(C1CNCCO1)NCC1(CCCCC1)c1ccccc1
• InChI: InChI=1S/C18H26N2O2/c21-17(16-13-19-11-12-22-16)20-14-18(9-5-2-6-10-18)15-7-3-1-4-8-15/h1,3-4,7-8,16,19H,2,5-6,9-14H2,(H,20,21)
• InChIKey: SALCYNUNFNTGKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-phenylcyclohexyl)methyl]morpholine-2-carboxamide
• IUPAC Traditional name: N-[(1-phenylcyclohexyl)methyl]morpholine-2-carboxamide
• Synonyms: N-[(1-phenylcyclohexyl)methyl]morpholine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.460997
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.12771466
• LogD (pH = 7.4): 1.8241903
• Log P: 2.3213823
• Molar Refractivity: 86.5548 cm^3
• Polarizability: 34.395546 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.01
• LOG S: -3.12
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4