2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide

C21H22N4O4 — CID 38536750

About 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide

2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide (PubChem CID 38536750) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide
• PubChem CID: 38536750
• Molecular Formula: C21H22N4O4
• Molecular Weight: 394.43 g/mol
• Exact Mass: 394.16
• IUPAC Name: 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide
• SMILES: CCOc1ncccc1CNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O
• InChI: InChI=1S/C21H22N4O4/c1-2-29-18-15(7-5-11-22-18)12-23-17(26)13-25-19(27)21(24-20(25)28)10-9-14-6-3-4-8-16(14)21/h3-8,11H,2,9-10,12-13H2,1H3,(H,23,26)(H,24,28)/t21-/m0/s1
• InChIKey: OTUCUEOCMGIVIT-NRFANRHFSA-N
• XLogP: 1.49
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.43
LogP ≤ 5	1.49
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-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide?

The IUPAC name of 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide (CID 38536750) is 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide.

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

The canonical SMILES for 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide is CCOc1ncccc1CNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O.

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

The InChIKey is OTUCUEOCMGIVIT-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-2-29-18-15(7-5-11-22-18)12-23-17(26)13-25-19(27)21(24-20(25)28)10-9-14-6-3-4-8-16(14)21/h3-8,11H,2,9-10,12-13H2,1H3,(H,23,26)(H,24,28)/t21-/m0/s1.

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

2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide has a molecular weight of 394.43 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 38536750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).