N-(2,3-dihydro-1H-inden-2-yl)-3-(2-oxoimidazolidin-1-yl)-N-propylbenzamide

• ChemBase ID: 471773
• Molecular Formular: C22H25N3O2
• Molecular Mass: 363.4528
• Monoisotopic Mass: 363.19467706
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)N(C2Cc3c(C2)cccc3)CCC)ccc1
• Canonical SMILES: CCCN(C(=O)c1cccc(c1)N1CCNC1=O)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C22H25N3O2/c1-2-11-24(20-13-16-6-3-4-7-17(16)14-20)21(26)18-8-5-9-19(15-18)25-12-10-23-22(25)27/h3-9,15,20H,2,10-14H2,1H3,(H,23,27)
• InChIKey: UGIBSAILPMVFAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-2-yl)-3-(2-oxoimidazolidin-1-yl)-N-propylbenzamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-2-yl)-3-(2-oxoimidazolidin-1-yl)-N-propylbenzamide
• Synonyms: N-(2,3-dihydro-1H-inden-2-yl)-3-(2-oxoimidazolidin-1-yl)-N-propylbenzamide

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 15.585186
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0837405
• LogD (pH = 7.4): 3.0837405
• Log P: 3.0837405
• Molar Refractivity: 106.1331 cm^3
• Polarizability: 40.195507 Å^3
• Polar Surface Area: 52.65 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 5
• H Acceptors: 2
• H Donor: 1
• Log P: 2.18
• LOG S: -3.71
• Polar Surface Area: 52.65 Å^2