propyl 4-[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]benzoate

C24H25N3O5 — CID 18275610

About propyl 4-[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]benzoate

propyl 4-[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]benzoate (PubChem CID 18275610) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is propyl 4-[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]benzoate.

Molecular Properties

• Compound Name: propyl 4-[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]benzoate
• PubChem CID: 18275610
• Molecular Formula: C24H25N3O5
• Molecular Weight: 435.48 g/mol
• Exact Mass: 435.18
• IUPAC Name: propyl 4-[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]benzoate
• SMILES: CCCOC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)cc1
• InChI: InChI=1S/C24H25N3O5/c1-2-14-32-21(29)17-9-11-18(12-10-17)25-20(28)15-27-22(30)24(26-23(27)31)13-5-7-16-6-3-4-8-19(16)24/h3-4,6,8-12H,2,5,7,13-15H2,1H3,(H,25,28)(H,26,31)
• InChIKey: XFQVIOSNVYHBLQ-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 104.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.48
LogP ≤ 5	2.98
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 propyl 4-[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]benzoate?

The IUPAC name of propyl 4-[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]benzoate (CID 18275610) is propyl 4-[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]benzoate.

What is the SMILES notation for propyl 4-[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]benzoate?

The canonical SMILES for propyl 4-[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)cc1.

What is the InChIKey of propyl 4-[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]benzoate?

The InChIKey is XFQVIOSNVYHBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-2-14-32-21(29)17-9-11-18(12-10-17)25-20(28)15-27-22(30)24(26-23(27)31)13-5-7-16-6-3-4-8-19(16)24/h3-4,6,8-12H,2,5,7,13-15H2,1H3,(H,25,28)(H,26,31).

What are the key properties of propyl 4-[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]benzoate?

propyl 4-[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]benzoate has a molecular weight of 435.48 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for propyl 4-[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]benzoate is sourced from PubChem (CID 18275610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).