2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[3-(methylaminomethyl)phenyl]acetamide

C21H22N4O3 — CID 166227552

About 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[3-(methylaminomethyl)phenyl]acetamide

2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[3-(methylaminomethyl)phenyl]acetamide (PubChem CID 166227552) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[3-(methylaminomethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[3-(methylaminomethyl)phenyl]acetamide
• PubChem CID: 166227552
• Molecular Formula: C21H22N4O3
• Molecular Weight: 378.43 g/mol
• Exact Mass: 378.17
• IUPAC Name: 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[3-(methylaminomethyl)phenyl]acetamide
• SMILES: CNCc1cccc(NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)c1
• InChI: InChI=1S/C21H22N4O3/c1-22-12-14-5-4-7-16(11-14)23-18(26)13-25-19(27)21(24-20(25)28)10-9-15-6-2-3-8-17(15)21/h2-8,11,22H,9-10,12-13H2,1H3,(H,23,26)(H,24,28)
• InChIKey: AJTPTMVSBZEMSV-UHFFFAOYSA-N
• XLogP: 1.74
• TPSA: 90.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.43
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	3
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 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[3-(methylaminomethyl)phenyl]acetamide?

The IUPAC name of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[3-(methylaminomethyl)phenyl]acetamide (CID 166227552) is 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[3-(methylaminomethyl)phenyl]acetamide.

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

The canonical SMILES for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[3-(methylaminomethyl)phenyl]acetamide is CNCc1cccc(NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)c1.

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

The InChIKey is AJTPTMVSBZEMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-22-12-14-5-4-7-16(11-14)23-18(26)13-25-19(27)21(24-20(25)28)10-9-15-6-2-3-8-17(15)21/h2-8,11,22H,9-10,12-13H2,1H3,(H,23,26)(H,24,28).

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

2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[3-(methylaminomethyl)phenyl]acetamide has a molecular weight of 378.43 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[3-(methylaminomethyl)phenyl]acetamide is sourced from PubChem (CID 166227552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).