N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

C25H29ClN4O3 — CID 112763887

About N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 112763887) has the molecular formula C25H29ClN4O3 and a molecular weight of 468.99 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
• PubChem CID: 112763887
• Molecular Formula: C25H29ClN4O3
• Molecular Weight: 468.99 g/mol
• Exact Mass: 468.19
• IUPAC Name: N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
• SMILES: CCN(CC)C(CNC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O)c1ccccc1Cl
• InChI: InChI=1S/C25H29ClN4O3/c1-3-29(4-2)21(18-10-6-8-12-20(18)26)15-27-22(31)16-30-23(32)25(28-24(30)33)14-13-17-9-5-7-11-19(17)25/h5-12,21H,3-4,13-16H2,1-2H3,(H,27,31)(H,28,33)
• InChIKey: XGYURFCTGHBPHG-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.99
LogP ≤ 5	3.23
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 N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

The IUPAC name of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (CID 112763887) is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

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

The canonical SMILES for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is CCN(CC)C(CNC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O)c1ccccc1Cl.

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

The InChIKey is XGYURFCTGHBPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O3/c1-3-29(4-2)21(18-10-6-8-12-20(18)26)15-27-22(31)16-30-23(32)25(28-24(30)33)14-13-17-9-5-7-11-19(17)25/h5-12,21H,3-4,13-16H2,1-2H3,(H,27,31)(H,28,33).

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

N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 468.99 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 112763887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).