2-(2-cyclopentyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide

C26H26N4O5 — CID 25032546

About 2-(2-cyclopentyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide

2-(2-cyclopentyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide (PubChem CID 25032546) has the molecular formula C26H26N4O5 and a molecular weight of 474.52 g/mol. Its IUPAC name is 2-(2-cyclopentyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide.

Molecular Properties

• Compound Name: 2-(2-cyclopentyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide
• PubChem CID: 25032546
• Molecular Formula: C26H26N4O5
• Molecular Weight: 474.52 g/mol
• Exact Mass: 474.19
• IUPAC Name: 2-(2-cyclopentyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide
• SMILES: O=C(CN1C(=O)C(C2CCCC2)Oc2ccccc21)Nc1ccc2c(c1)CC1(C2)NC(=O)NC1=O
• InChI: InChI=1S/C26H26N4O5/c31-21(27-18-10-9-16-12-26(13-17(16)11-18)24(33)28-25(34)29-26)14-30-19-7-3-4-8-20(19)35-22(23(30)32)15-5-1-2-6-15/h3-4,7-11,15,22H,1-2,5-6,12-14H2,(H,27,31)(H2,28,29,33,34)
• InChIKey: JSORQMNFYXAEFE-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 116.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.52
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	3
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-(2-cyclopentyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide?

The IUPAC name of 2-(2-cyclopentyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide (CID 25032546) is 2-(2-cyclopentyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide.

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

The canonical SMILES for 2-(2-cyclopentyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide is O=C(CN1C(=O)C(C2CCCC2)Oc2ccccc21)Nc1ccc2c(c1)CC1(C2)NC(=O)NC1=O.

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

The InChIKey is JSORQMNFYXAEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5/c31-21(27-18-10-9-16-12-26(13-17(16)11-18)24(33)28-25(34)29-26)14-30-19-7-3-4-8-20(19)35-22(23(30)32)15-5-1-2-6-15/h3-4,7-11,15,22H,1-2,5-6,12-14H2,(H,27,31)(H2,28,29,33,34).

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

2-(2-cyclopentyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide has a molecular weight of 474.52 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-cyclopentyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide is sourced from PubChem (CID 25032546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).