2-(morpholin-3-yl)-N-{2-[2-(pyridin-2-yl)ethoxy]phenyl}acetamide

• ChemBase ID: 582328
• Molecular Formular: C19H23N3O3
• Molecular Mass: 341.40422
• Monoisotopic Mass: 341.17394161
• SMILES: C(=O)(Nc1c(OCCc2ncccc2)cccc1)CC1NCCOC1
• Canonical SMILES: O=C(Nc1ccccc1OCCc1ccccn1)CC1COCCN1
• InChI: InChI=1S/C19H23N3O3/c23-19(13-16-14-24-12-10-21-16)22-17-6-1-2-7-18(17)25-11-8-15-5-3-4-9-20-15/h1-7,9,16,21H,8,10-14H2,(H,22,23)
• InChIKey: PRYPXSFZLPCOLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-3-yl)-N-{2-[2-(pyridin-2-yl)ethoxy]phenyl}acetamide
• IUPAC Traditional name: 2-(morpholin-3-yl)-N-{2-[2-(pyridin-2-yl)ethoxy]phenyl}acetamide
• Synonyms: 2-(3-morpholinyl)-N-{2-[2-(2-pyridinyl)ethoxy]phenyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.433295
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.011122
• LogD (pH = 7.4): 0.89030087
• Log P: 1.4653001
• Molar Refractivity: 95.5955 cm^3
• Polarizability: 37.044014 Å^3
• Polar Surface Area: 72.48 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.26
• LOG S: -1.92
• Polar Surface Area: 72.48 Å^2
• Rotatable Bonds: 7