N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-propanamidobenzamide

• ChemBase ID: 838127
• Molecular Formular: C15H20N4O3
• Molecular Mass: 304.3443
• Monoisotopic Mass: 304.15354052
• SMILES: C1(=O)N(CCNC(=O)c2cc(NC(=O)CC)ccc2)CCN1
• Canonical SMILES: CCC(=O)Nc1cccc(c1)C(=O)NCCN1CCNC1=O
• InChI: InChI=1S/C15H20N4O3/c1-2-13(20)18-12-5-3-4-11(10-12)14(21)16-6-8-19-9-7-17-15(19)22/h3-5,10H,2,6-9H2,1H3,(H,16,21)(H,17,22)(H,18,20)
• InChIKey: AFCMLXIFTLAQDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.310858
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.050047334
• LogD (pH = 7.4): -0.050047647
• Log P: -0.05004716
• Molar Refractivity: 83.4177 cm^3
• Polarizability: 30.759647 Å^3
• Polar Surface Area: 90.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 0.17
• LOG S: -2.88
• Polar Surface Area: 90.54 Å^2
• Rotatable Bonds: 6