N-cyclopentyl-4-(2,4-dioxoimidazolidin-1-yl)-N-(3-phenylprop-2-yn-1-yl)benzamide

• ChemBase ID: 488835
• Molecular Formular: C24H23N3O3
• Molecular Mass: 401.45772
• Monoisotopic Mass: 401.17394161
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)N(C2CCCC2)CC#Cc2ccccc2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)N1CC(=O)NC1=O)N(C1CCCC1)CC#Cc1ccccc1
• InChI: InChI=1S/C24H23N3O3/c28-22-17-27(24(30)25-22)21-14-12-19(13-15-21)23(29)26(20-10-4-5-11-20)16-6-9-18-7-2-1-3-8-18/h1-3,7-8,12-15,20H,4-5,10-11,16-17H2,(H,25,28,30)
• InChIKey: YZNZYCGOXJSZCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-4-(2,4-dioxoimidazolidin-1-yl)-N-(3-phenylprop-2-yn-1-yl)benzamide
• IUPAC Traditional name: N-cyclopentyl-4-(2,4-dioxoimidazolidin-1-yl)-N-(3-phenylprop-2-yn-1-yl)benzamide
• Synonyms: N-cyclopentyl-4-(2,4-dioxoimidazolidin-1-yl)-N-(3-phenylprop-2-yn-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064491
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2823083
• LogD (pH = 7.4): 3.2732294
• Log P: 3.2824254
• Molar Refractivity: 111.2499 cm^3
• Polarizability: 42.853367 Å^3
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.49
• LOG S: -4.25
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 6