4-[[2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetyl]amino]-N,N-dimethylbenzamide

C22H22N4O4 — CID 2584376

About 4-[[2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetyl]amino]-N,N-dimethylbenzamide

4-[[2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 2584376) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 4-[[2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 4-[[2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetyl]amino]-N,N-dimethylbenzamide
• PubChem CID: 2584376
• Molecular Formula: C22H22N4O4
• Molecular Weight: 406.44 g/mol
• Exact Mass: 406.16
• IUPAC Name: 4-[[2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetyl]amino]-N,N-dimethylbenzamide
• SMILES: CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1
• InChI: InChI=1S/C22H22N4O4/c1-25(2)19(28)15-7-9-16(10-8-15)23-18(27)13-26-20(29)22(24-21(26)30)12-11-14-5-3-4-6-17(14)22/h3-10H,11-13H2,1-2H3,(H,23,27)(H,24,30)/t22-/m1/s1
• InChIKey: IRUKVKACDZTOEB-JOCHJYFZSA-N
• XLogP: 1.72
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.44
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-[[2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetyl]amino]-N,N-dimethylbenzamide (CID 2584376) is 4-[[2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetyl]amino]-N,N-dimethylbenzamide.

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

The canonical SMILES for 4-[[2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1.

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

The InChIKey is IRUKVKACDZTOEB-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-25(2)19(28)15-7-9-16(10-8-15)23-18(27)13-26-20(29)22(24-21(26)30)12-11-14-5-3-4-6-17(14)22/h3-10H,11-13H2,1-2H3,(H,23,27)(H,24,30)/t22-/m1/s1.

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

4-[[2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 406.44 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 2584376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).