2-[4-(propan-2-yl)morpholin-2-yl]-N-(pyridin-2-ylmethyl)acetamide

• ChemBase ID: 574767
• Molecular Formular: C15H23N3O2
• Molecular Mass: 277.36202
• Monoisotopic Mass: 277.17902699
• SMILES: N1(CC(CC(=O)NCc2ncccc2)OCC1)C(C)C
• Canonical SMILES: O=C(CC1OCCN(C1)C(C)C)NCc1ccccn1
• InChI: InChI=1S/C15H23N3O2/c1-12(2)18-7-8-20-14(11-18)9-15(19)17-10-13-5-3-4-6-16-13/h3-6,12,14H,7-11H2,1-2H3,(H,17,19)
• InChIKey: ZXCQNQZPNZRMBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(propan-2-yl)morpholin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
• IUPAC Traditional name: 2-(4-isopropylmorpholin-2-yl)-N-(pyridin-2-ylmethyl)acetamide
• Synonyms: 2-(4-isopropylmorpholin-2-yl)-N-(pyridin-2-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.400409
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.5663607
• LogD (pH = 7.4): 0.12087098
• Log P: 0.52482116
• Molar Refractivity: 77.3366 cm^3
• Polarizability: 30.54099 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: -0.23
• LOG S: -1.04
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 5