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

C21H19N3O4 — CID 4271164

IUPACN-(4-acetylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)cc1
InChIInChI=1S/C21H19N3O4/c1-13(25)14-6-8-16(9-7-14)22-18(26)12-24-19(27)21(23-20(24)28)11-10-15-4-2-3-5-17(15)21/h2-9H,10-12H2,1H3,(H,22,26)(H,23,28)
InChIKeyGLWXQBNTNOALBA-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.22
Rot. Bonds4

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

N-(4-acetylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 4271164) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
PubChem CID4271164
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-(4-acetylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)cc1
InChIInChI=1S/C21H19N3O4/c1-13(25)14-6-8-16(9-7-14)22-18(26)12-24-19(27)21(23-20(24)28)11-10-15-4-2-3-5-17(15)21/h2-9H,10-12H2,1H3,(H,22,26)(H,23,28)
InChIKeyGLWXQBNTNOALBA-UHFFFAOYSA-N
XLogP2.22
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (CID 4271164) is N-(4-acetylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is CC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The InChIKey is GLWXQBNTNOALBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-13(25)14-6-8-16(9-7-14)22-18(26)12-24-19(27)21(23-20(24)28)11-10-15-4-2-3-5-17(15)21/h2-9H,10-12H2,1H3,(H,22,26)(H,23,28).
What are the key properties of N-(4-acetylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
N-(4-acetylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 377.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 4271164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).