N-[2-(1H-imidazol-4-yl)ethyl]-2-[4-(propan-2-yl)morpholin-2-yl]acetamide

• ChemBase ID: 769778
• Molecular Formular: C14H24N4O2
• Molecular Mass: 280.36596
• Monoisotopic Mass: 280.18992603
• SMILES: N1(CC(CC(=O)NCCc2nc[nH]c2)OCC1)C(C)C
• Canonical SMILES: CC(N1CCOC(C1)CC(=O)NCCc1nc[nH]c1)C
• InChI: InChI=1S/C14H24N4O2/c1-11(2)18-5-6-20-13(9-18)7-14(19)16-4-3-12-8-15-10-17-12/h8,10-11,13H,3-7,9H2,1-2H3,(H,15,17)(H,16,19)
• InChIKey: LXIDGRKUERVQQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-imidazol-4-yl)ethyl]-2-[4-(propan-2-yl)morpholin-2-yl]acetamide
• IUPAC Traditional name: N-[2-(1H-imidazol-4-yl)ethyl]-2-(4-isopropylmorpholin-2-yl)acetamide
• Synonyms: N-[2-(1H-imidazol-4-yl)ethyl]-2-(4-isopropylmorpholin-2-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.10094
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.0012631
• LogD (pH = 7.4): -0.59470934
• Log P: -0.13896371
• Molar Refractivity: 77.1477 cm^3
• Polarizability: 30.109396 Å^3
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.73
• LOG S: -1.93
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 6