N-[(2,5-dimethylphenyl)methyl]-2-(morpholin-4-yl)-2-(pyridin-3-yl)acetamide

• ChemBase ID: 459377
• Molecular Formular: C20H25N3O2
• Molecular Mass: 339.4314
• Monoisotopic Mass: 339.19467706
• SMILES: C(=O)(C(N1CCOCC1)c1cnccc1)NCc1c(ccc(c1)C)C
• Canonical SMILES: O=C(C(c1cccnc1)N1CCOCC1)NCc1cc(C)ccc1C
• InChI: InChI=1S/C20H25N3O2/c1-15-5-6-16(2)18(12-15)14-22-20(24)19(17-4-3-7-21-13-17)23-8-10-25-11-9-23/h3-7,12-13,19H,8-11,14H2,1-2H3,(H,22,24)
• InChIKey: PFSMDRLFPIOYAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,5-dimethylphenyl)methyl]-2-(morpholin-4-yl)-2-(pyridin-3-yl)acetamide
• IUPAC Traditional name: N-[(2,5-dimethylphenyl)methyl]-2-(morpholin-4-yl)-2-(pyridin-3-yl)acetamide
• Synonyms: N-(2,5-dimethylbenzyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.142211
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.2138472
• LogD (pH = 7.4): 2.334688
• Log P: 2.3364587
• Molar Refractivity: 98.7621 cm^3
• Polarizability: 38.134575 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.71
• LOG S: -1.83
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 5