2,2-dimethyl-N-{2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl}propanamide

• ChemBase ID: 765509
• Molecular Formular: C17H27N3O2
• Molecular Mass: 305.41518
• Monoisotopic Mass: 305.21032712
• SMILES: N1(Cc2ncccc2)CC(OCC1)CCNC(=O)C(C)(C)C
• Canonical SMILES: O=C(C(C)(C)C)NCCC1OCCN(C1)Cc1ccccn1
• InChI: InChI=1S/C17H27N3O2/c1-17(2,3)16(21)19-9-7-15-13-20(10-11-22-15)12-14-6-4-5-8-18-14/h4-6,8,15H,7,9-13H2,1-3H3,(H,19,21)
• InChIKey: ZNRMVGKPRZXSHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethyl-N-{2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl}propanamide
• IUPAC Traditional name: 2,2-dimethyl-N-{2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl}propanamide
• Synonyms: 2,2-dimethyl-N-{2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.627868
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0345973
• LogD (pH = 7.4): 1.4906362
• Log P: 1.5010676
• Molar Refractivity: 86.6277 cm^3
• Polarizability: 34.22271 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.07
• LOG S: -1.5
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6