N-(2-amino-1-cyclohexylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride

C21H29ClN4O3 — CID 119590819

About N-(2-amino-1-cyclohexylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride (PubChem CID 119590819) has the molecular formula C21H29ClN4O3 and a molecular weight of 420.94 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride.

Molecular Properties

• Compound Name: N-(2-amino-1-cyclohexylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride
• PubChem CID: 119590819
• Molecular Formula: C21H29ClN4O3
• Molecular Weight: 420.94 g/mol
• Exact Mass: 420.19
• IUPAC Name: N-(2-amino-1-cyclohexylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride
• SMILES: Cl.NCC(NC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O)C1CCCCC1
• InChI: InChI=1S/C21H28N4O3.ClH/c22-12-17(15-7-2-1-3-8-15)23-18(26)13-25-19(27)21(24-20(25)28)11-10-14-6-4-5-9-16(14)21;/h4-6,9,15,17H,1-3,7-8,10-13,22H2,(H,23,26)(H,24,28);1H
• InChIKey: LTDKWLMHCBTGNL-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 104.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.94
LogP ≤ 5	1.83
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 N-(2-amino-1-cyclohexylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride?

The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride (CID 119590819) is N-(2-amino-1-cyclohexylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride.

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

The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride is Cl.NCC(NC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O)C1CCCCC1.

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

The InChIKey is LTDKWLMHCBTGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3.ClH/c22-12-17(15-7-2-1-3-8-15)23-18(26)13-25-19(27)21(24-20(25)28)11-10-14-6-4-5-9-16(14)21;/h4-6,9,15,17H,1-3,7-8,10-13,22H2,(H,23,26)(H,24,28);1H.

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

N-(2-amino-1-cyclohexylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride has a molecular weight of 420.94 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-1-cyclohexylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride is sourced from PubChem (CID 119590819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).