N-(3-ethoxyphenyl)-2-[4-(1-methyl-1H-imidazole-2-carbonyl)morpholin-3-yl]acetamide

• ChemBase ID: 618810
• Molecular Formular: C19H24N4O4
• Molecular Mass: 372.41826
• Monoisotopic Mass: 372.17975527
• SMILES: C(=O)(c1n(ccn1)C)N1C(CC(=O)Nc2cc(OCC)ccc2)COCC1
• Canonical SMILES: CCOc1cccc(c1)NC(=O)CC1COCCN1C(=O)c1nccn1C
• InChI: InChI=1S/C19H24N4O4/c1-3-27-16-6-4-5-14(11-16)21-17(24)12-15-13-26-10-9-23(15)19(25)18-20-7-8-22(18)2/h4-8,11,15H,3,9-10,12-13H2,1-2H3,(H,21,24)
• InChIKey: BYRAVIIJEQGALU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-ethoxyphenyl)-2-[4-(1-methyl-1H-imidazole-2-carbonyl)morpholin-3-yl]acetamide
• IUPAC Traditional name: N-(3-ethoxyphenyl)-2-[4-(1-methylimidazole-2-carbonyl)morpholin-3-yl]acetamide
• Synonyms: N-(3-ethoxyphenyl)-2-{4-[(1-methyl-1H-imidazol-2-yl)carbonyl]-3-morpholinyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.7101555
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.94207144
• LogD (pH = 7.4): 0.9436698
• Log P: 0.9436904
• Molar Refractivity: 101.2763 cm^3
• Polarizability: 37.964348 Å^3
• Polar Surface Area: 85.69 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: 0.43
• LOG S: -2.28
• Polar Surface Area: 85.69 Å^2
• Rotatable Bonds: 6