N-[(4-acetylmorpholin-2-yl)methyl]-2-(pyridin-3-yloxy)acetamide

• ChemBase ID: 540356
• Molecular Formular: C14H19N3O4
• Molecular Mass: 293.31836
• Monoisotopic Mass: 293.1375561
• SMILES: N1(C(=O)C)CC(OCC1)CNC(=O)COc1cnccc1
• Canonical SMILES: O=C(COc1cccnc1)NCC1OCCN(C1)C(=O)C
• InChI: InChI=1S/C14H19N3O4/c1-11(18)17-5-6-20-13(9-17)8-16-14(19)10-21-12-3-2-4-15-7-12/h2-4,7,13H,5-6,8-10H2,1H3,(H,16,19)
• InChIKey: IHTKKVVPFCSASZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-acetylmorpholin-2-yl)methyl]-2-(pyridin-3-yloxy)acetamide
• IUPAC Traditional name: N-[(4-acetylmorpholin-2-yl)methyl]-2-(pyridin-3-yloxy)acetamide
• Synonyms: N-[(4-acetylmorpholin-2-yl)methyl]-2-(pyridin-3-yloxy)acetamide

CALCULATED PROPERTIES

JChem

• Lipinski's Rule of Five: true
• Acid pKa: 13.800866
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.4862393
• LogD (pH = 7.4): -1.4214841
• Log P: -1.4205756
• Molar Refractivity: 74.2028 cm^3
• Polarizability: 29.138483 Å^3
• Polar Surface Area: 80.76 Å^2
• Rotatable Bonds: 5

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.38
• LOG S: -2.33
• Polar Surface Area: 80.76 Å^2
• Rotatable Bonds: 5