2-[4-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide

C27H31N5O4 — CID 55363794

About 2-[4-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide

2-[4-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 55363794) has the molecular formula C27H31N5O4 and a molecular weight of 489.58 g/mol. Its IUPAC name is 2-[4-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
• PubChem CID: 55363794
• Molecular Formula: C27H31N5O4
• Molecular Weight: 489.58 g/mol
• Exact Mass: 489.24
• IUPAC Name: 2-[4-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
• SMILES: CCc1ccccc1NC(=O)CN1CCN(C(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)CC1
• InChI: InChI=1S/C27H31N5O4/c1-2-19-7-4-6-10-22(19)28-23(33)17-30-13-15-31(16-14-30)24(34)18-32-25(35)27(29-26(32)36)12-11-20-8-3-5-9-21(20)27/h3-10H,2,11-18H2,1H3,(H,28,33)(H,29,36)
• InChIKey: GKQVYUIUMLVXGI-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 102.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.58
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?

The IUPAC name of 2-[4-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide (CID 55363794) is 2-[4-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide.

What is the SMILES notation for 2-[4-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?

The canonical SMILES for 2-[4-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)CC1.

What is the InChIKey of 2-[4-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?

The InChIKey is GKQVYUIUMLVXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O4/c1-2-19-7-4-6-10-22(19)28-23(33)17-30-13-15-31(16-14-30)24(34)18-32-25(35)27(29-26(32)36)12-11-20-8-3-5-9-21(20)27/h3-10H,2,11-18H2,1H3,(H,28,33)(H,29,36).

What are the key properties of 2-[4-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?

2-[4-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 489.58 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 55363794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).