N-[2-(4-methylmorpholin-2-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 545552
• Molecular Formular: C17H24N4O3
• Molecular Mass: 332.39746
• Monoisotopic Mass: 332.18484065
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NCCC2OCCN(C2)C)ccc1
• Canonical SMILES: CN1CCOC(C1)CCNC(=O)c1cccc(c1)N1CCNC1=O
• InChI: InChI=1S/C17H24N4O3/c1-20-9-10-24-15(12-20)5-6-18-16(22)13-3-2-4-14(11-13)21-8-7-19-17(21)23/h2-4,11,15H,5-10,12H2,1H3,(H,18,22)(H,19,23)
• InChIKey: MKGRSWKTNUZBLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methylmorpholin-2-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-[2-(4-methylmorpholin-2-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-[2-(4-methylmorpholin-2-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.59616
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.9060876
• LogD (pH = 7.4): -0.42140538
• Log P: -0.21218492
• Molar Refractivity: 91.2456 cm^3
• Polarizability: 34.695915 Å^3
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.9
• LOG S: -2.17
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 5