2-(4-cyclohexanecarbonylmorpholin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide

• ChemBase ID: 682941
• Molecular Formular: C21H30N2O4
• Molecular Mass: 374.4739
• Monoisotopic Mass: 374.22055745
• SMILES: N1(C(=O)C2CCCCC2)C(CC(=O)NCc2c(OC)cccc2)COCC1
• Canonical SMILES: COc1ccccc1CNC(=O)CC1COCCN1C(=O)C1CCCCC1
• InChI: InChI=1S/C21H30N2O4/c1-26-19-10-6-5-9-17(19)14-22-20(24)13-18-15-27-12-11-23(18)21(25)16-7-3-2-4-8-16/h5-6,9-10,16,18H,2-4,7-8,11-15H2,1H3,(H,22,24)
• InChIKey: SDPXENROGUQZPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-cyclohexanecarbonylmorpholin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
• IUPAC Traditional name: 2-(4-cyclohexanecarbonylmorpholin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
• Synonyms: 2-[4-(cyclohexylcarbonyl)-3-morpholinyl]-N-(2-methoxybenzyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.513553
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0703628
• LogD (pH = 7.4): 2.070364
• Log P: 2.070364
• Molar Refractivity: 102.7849 cm^3
• Polarizability: 40.288208 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.37
• LOG S: -3.95
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 6