2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide

C26H25N3O4 — CID 40987771

About 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide

2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide (PubChem CID 40987771) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
• PubChem CID: 40987771
• Molecular Formula: C26H25N3O4
• Molecular Weight: 443.50 g/mol
• Exact Mass: 443.18
• IUPAC Name: 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
• SMILES: COc1ccc2cc(CN(C)C(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)ccc2c1
• InChI: InChI=1S/C26H25N3O4/c1-28(15-17-7-8-20-14-21(33-2)10-9-19(20)13-17)23(30)16-29-24(31)26(27-25(29)32)12-11-18-5-3-4-6-22(18)26/h3-10,13-14H,11-12,15-16H2,1-2H3,(H,27,32)/t26-/m1/s1
• InChIKey: CKXREQJCKQRGGI-AREMUKBSSA-N
• XLogP: 3.20
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.50
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
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-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide?

The IUPAC name of 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide (CID 40987771) is 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide.

What is the SMILES notation for 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide?

The canonical SMILES for 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide is COc1ccc2cc(CN(C)C(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)ccc2c1.

What is the InChIKey of 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide?

The InChIKey is CKXREQJCKQRGGI-AREMUKBSSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-28(15-17-7-8-20-14-21(33-2)10-9-19(20)13-17)23(30)16-29-24(31)26(27-25(29)32)12-11-18-5-3-4-6-22(18)26/h3-10,13-14H,11-12,15-16H2,1-2H3,(H,27,32)/t26-/m1/s1.

What are the key properties of 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide?

2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide has a molecular weight of 443.50 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 40987771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).