N-(3-{2-[3-(2-methylpropyl)morpholin-4-yl]-2-oxoethoxy}phenyl)propanamide

• ChemBase ID: 776488
• Molecular Formular: C19H28N2O4
• Molecular Mass: 348.43662
• Monoisotopic Mass: 348.20490739
• SMILES: N1(C(=O)COc2cc(NC(=O)CC)ccc2)C(CC(C)C)COCC1
• Canonical SMILES: CCC(=O)Nc1cccc(c1)OCC(=O)N1CCOCC1CC(C)C
• InChI: InChI=1S/C19H28N2O4/c1-4-18(22)20-15-6-5-7-17(11-15)25-13-19(23)21-8-9-24-12-16(21)10-14(2)3/h5-7,11,14,16H,4,8-10,12-13H2,1-3H3,(H,20,22)
• InChIKey: WXWNAMSXWZCQRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-{2-[3-(2-methylpropyl)morpholin-4-yl]-2-oxoethoxy}phenyl)propanamide
• IUPAC Traditional name: N-(3-{2-[3-(2-methylpropyl)morpholin-4-yl]-2-oxoethoxy}phenyl)propanamide
• Synonyms: N-{3-[2-(3-isobutylmorpholin-4-yl)-2-oxoethoxy]phenyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.791197
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3243983
• LogD (pH = 7.4): 2.324398
• Log P: 2.3243983
• Molar Refractivity: 96.8782 cm^3
• Polarizability: 37.32659 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.05
• LOG S: -4.35
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 7