2-(morpholin-3-yl)-N,N-bis(pyridin-3-ylmethyl)acetamide

• ChemBase ID: 359061
• Molecular Formular: C18H22N4O2
• Molecular Mass: 326.39288
• Monoisotopic Mass: 326.17427596
• SMILES: C(=O)(N(Cc1cnccc1)Cc1cnccc1)CC1NCCOC1
• Canonical SMILES: O=C(N(Cc1cccnc1)Cc1cccnc1)CC1COCCN1
• InChI: InChI=1S/C18H22N4O2/c23-18(9-17-14-24-8-7-21-17)22(12-15-3-1-5-19-10-15)13-16-4-2-6-20-11-16/h1-6,10-11,17,21H,7-9,12-14H2
• InChIKey: ZTCGGECPFKEXEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-3-yl)-N,N-bis(pyridin-3-ylmethyl)acetamide
• IUPAC Traditional name: 2-(morpholin-3-yl)-N,N-bis(pyridin-3-ylmethyl)acetamide
• Synonyms: 2-(3-morpholinyl)-N,N-bis(3-pyridinylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.4157438
• LogD (pH = 7.4): -0.55672705
• Log P: 0.01739509
• Molar Refractivity: 90.7491 cm^3
• Polarizability: 35.549274 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.33
• LOG S: -0.45
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 6