N-(2-methoxyethyl)-3-methyl-4-({[2-(2-oxoimidazolidin-1-yl)ethyl]carbamoyl}amino)benzamide

• ChemBase ID: 700606
• Molecular Formular: C17H25N5O4
• Molecular Mass: 363.4115
• Monoisotopic Mass: 363.19065431
• SMILES: C1(=O)N(CCNC(=O)Nc2c(cc(C(=O)NCCOC)cc2)C)CCN1
• Canonical SMILES: COCCNC(=O)c1ccc(c(c1)C)NC(=O)NCCN1CCNC1=O
• InChI: InChI=1S/C17H25N5O4/c1-12-11-13(15(23)18-7-10-26-2)3-4-14(12)21-16(24)19-5-8-22-9-6-20-17(22)25/h3-4,11H,5-10H2,1-2H3,(H,18,23)(H,20,25)(H2,19,21,24)
• InChIKey: MFRQHIQFHYIDDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-3-methyl-4-({[2-(2-oxoimidazolidin-1-yl)ethyl]carbamoyl}amino)benzamide
• IUPAC Traditional name: N-(2-methoxyethyl)-3-methyl-4-({[2-(2-oxoimidazolidin-1-yl)ethyl]carbamoyl}amino)benzamide
• Synonyms: N-(2-methoxyethyl)-3-methyl-4-[({[2-(2-oxoimidazolidin-1-yl)ethyl]amino}carbonyl)amino]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.943236
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -0.39400682
• LogD (pH = 7.4): -0.39400774
• Log P: -0.39400658
• Molar Refractivity: 98.4489 cm^3
• Polarizability: 36.23403 Å^3
• Polar Surface Area: 111.8 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 4
• Log P: 0.33
• LOG S: -3.44
• Polar Surface Area: 111.8 Å^2
• Rotatable Bonds: 8