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

• ChemBase ID: 619000
• Molecular Formular: C15H21N3O3
• Molecular Mass: 291.34554
• Monoisotopic Mass: 291.15829155
• SMILES: N1(C(=O)C)CC(OCC1)CNC(=O)CCc1cnccc1
• Canonical SMILES: O=C(CCc1cccnc1)NCC1OCCN(C1)C(=O)C
• InChI: InChI=1S/C15H21N3O3/c1-12(19)18-7-8-21-14(11-18)10-17-15(20)5-4-13-3-2-6-16-9-13/h2-3,6,9,14H,4-5,7-8,10-11H2,1H3,(H,17,20)
• InChIKey: DGDOMILHEPZSPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.77
• LOG S: -0.68
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 5

JChem

• H Donor: 1
• LogD (pH = 5.5): -0.7504826
• LogD (pH = 7.4): -0.6598929
• Log P: -0.6585707
• Molar Refractivity: 77.5636 cm^3
• Polarizability: 30.253939 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 15.37058
• H Acceptors: 4