2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(3-ethoxypropyl)acetamide

• ChemBase ID: 684906
• Molecular Formular: C25H33N3O3
• Molecular Mass: 423.54782
• Monoisotopic Mass: 423.25219193
• SMILES: N1(C(C(=O)NCC1)CC(=O)NCCCOCC)CC(c1ccccc1)c1ccccc1
• Canonical SMILES: CCOCCCNC(=O)CC1N(CCNC1=O)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C25H33N3O3/c1-2-31-17-9-14-26-24(29)18-23-25(30)27-15-16-28(23)19-22(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,22-23H,2,9,14-19H2,1H3,(H,26,29)(H,27,30)
• InChIKey: UDVYVLLJICYSCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(3-ethoxypropyl)acetamide
• IUPAC Traditional name: 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(3-ethoxypropyl)acetamide
• Synonyms: 2-[1-(2,2-diphenylethyl)-3-oxo-2-piperazinyl]-N-(3-ethoxypropyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.251354
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.17258115
• LogD (pH = 7.4): 1.7991172
• Log P: 2.1387503
• Molar Refractivity: 122.6625 cm^3
• Polarizability: 47.691082 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.79
• LOG S: -2.64
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 9