N-(2-cyanoethyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide

C17H18N4O4 — CID 43011070

About N-(2-cyanoethyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide

N-(2-cyanoethyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide (PubChem CID 43011070) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide.

Molecular Properties

• Compound Name: N-(2-cyanoethyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide
• PubChem CID: 43011070
• Molecular Formula: C17H18N4O4
• Molecular Weight: 342.36 g/mol
• Exact Mass: 342.13
• IUPAC Name: N-(2-cyanoethyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide
• SMILES: CN(CCC#N)C(=O)CN1C(=O)NC2(CCOc3ccccc32)C1=O
• InChI: InChI=1S/C17H18N4O4/c1-20(9-4-8-18)14(22)11-21-15(23)17(19-16(21)24)7-10-25-13-6-3-2-5-12(13)17/h2-3,5-6H,4,7,9-11H2,1H3,(H,19,24)
• InChIKey: BNJFEFZSRKWNBQ-UHFFFAOYSA-N
• XLogP: 0.59
• TPSA: 102.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.36
LogP ≤ 5	0.59
H-Bond Donors ≤ 5	1
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 N-(2-cyanoethyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide?

The IUPAC name of N-(2-cyanoethyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide (CID 43011070) is N-(2-cyanoethyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide.

What is the SMILES notation for N-(2-cyanoethyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide?

The canonical SMILES for N-(2-cyanoethyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide is CN(CCC#N)C(=O)CN1C(=O)NC2(CCOc3ccccc32)C1=O.

What is the InChIKey of N-(2-cyanoethyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide?

The InChIKey is BNJFEFZSRKWNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-20(9-4-8-18)14(22)11-21-15(23)17(19-16(21)24)7-10-25-13-6-3-2-5-12(13)17/h2-3,5-6H,4,7,9-11H2,1H3,(H,19,24).

What are the key properties of N-(2-cyanoethyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide?

N-(2-cyanoethyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide has a molecular weight of 342.36 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyanoethyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide is sourced from PubChem (CID 43011070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).