2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide

C26H25N3O4 — CID 43027899

About 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide

2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide (PubChem CID 43027899) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide
• PubChem CID: 43027899
• Molecular Formula: C26H25N3O4
• Molecular Weight: 443.50 g/mol
• Exact Mass: 443.18
• IUPAC Name: 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide
• SMILES: Cc1ccc(N(Cc2ccco2)C(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)cc1
• InChI: InChI=1S/C26H25N3O4/c1-18-10-12-20(13-11-18)28(16-21-8-5-15-33-21)23(30)17-29-24(31)26(27-25(29)32)14-4-7-19-6-2-3-9-22(19)26/h2-3,5-6,8-13,15H,4,7,14,16-17H2,1H3,(H,27,32)
• InChIKey: WOQVHKBMAJJOKS-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 82.86 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	3.90
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-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide?

The IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide (CID 43027899) is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide.

What is the SMILES notation for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide?

The canonical SMILES for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide is Cc1ccc(N(Cc2ccco2)C(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)cc1.

What is the InChIKey of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide?

The InChIKey is WOQVHKBMAJJOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-18-10-12-20(13-11-18)28(16-21-8-5-15-33-21)23(30)17-29-24(31)26(27-25(29)32)14-4-7-19-6-2-3-9-22(19)26/h2-3,5-6,8-13,15H,4,7,14,16-17H2,1H3,(H,27,32).

What are the key properties of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide?

2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide has a molecular weight of 443.50 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 43027899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).