2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(1H-imidazol-1-yl)propyl]acetamide

• ChemBase ID: 832968
• Molecular Formular: C14H24N4O2
• Molecular Mass: 280.36596
• Monoisotopic Mass: 280.18992603
• SMILES: N1(CC(=O)NCCCn2cncc2)C[C@H](O[C@H](C1)C)C
• Canonical SMILES: O=C(CN1C[C@H](C)O[C@@H](C1)C)NCCCn1cncc1
• InChI: InChI=1S/C14H24N4O2/c1-12-8-18(9-13(2)20-12)10-14(19)16-4-3-6-17-7-5-15-11-17/h5,7,11-13H,3-4,6,8-10H2,1-2H3,(H,16,19)/t12-,13+
• InChIKey: QVSYULQEGDAVAT-BETUJISGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(1H-imidazol-1-yl)propyl]acetamide
• IUPAC Traditional name: 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(imidazol-1-yl)propyl]acetamide
• Synonyms: 2-[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]-N-[3-(1H-imidazol-1-yl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.547989
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.6536531
• LogD (pH = 7.4): -0.42944843
• Log P: -0.3335775
• Molar Refractivity: 77.5096 cm^3
• Polarizability: 30.109985 Å^3
• Polar Surface Area: 59.39 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: 0.8
• LOG S: -1.58
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 6