N-(4-acetylphenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide

C16H19N3O4 — CID 18097274

IUPACN-(4-acetylphenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2C(=O)NC(C(C)C)C2=O)cc1
InChIInChI=1S/C16H19N3O4/c1-9(2)14-15(22)19(16(23)18-14)8-13(21)17-12-6-4-11(5-7-12)10(3)20/h4-7,9,14H,8H2,1-3H3,(H,17,21)(H,18,23)
InChIKeyXFIYLDJSWUKJES-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.40
Rot. Bonds5

About N-(4-acetylphenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide

N-(4-acetylphenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide (PubChem CID 18097274) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide
PubChem CID18097274
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-(4-acetylphenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2C(=O)NC(C(C)C)C2=O)cc1
InChIInChI=1S/C16H19N3O4/c1-9(2)14-15(22)19(16(23)18-14)8-13(21)17-12-6-4-11(5-7-12)10(3)20/h4-7,9,14H,8H2,1-3H3,(H,17,21)(H,18,23)
InChIKeyXFIYLDJSWUKJES-UHFFFAOYSA-N
XLogP1.40
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(4-iodophenyl)acetamide
CID 55435726
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-phenylacetamide
CID 41200746
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-phenylacetamide
CID 17409210
3-[[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetyl]amino]-N-methylbenzamide
CID 24582125
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 41089956
N-(4-chloro-3-nitrophenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide
CID 18097275
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 18225476
N-(4-acetylphenyl)-2-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98535911
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 18143143
N-(4-bromo-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetamide
CID 25363542
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetic acid
CID 10821883
N-(4-chlorophenyl)-2-[(3S)-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide
CID 71829706

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide (CID 18097274) is N-(4-acetylphenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide is CC(=O)c1ccc(NC(=O)CN2C(=O)NC(C(C)C)C2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide?
The InChIKey is XFIYLDJSWUKJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-9(2)14-15(22)19(16(23)18-14)8-13(21)17-12-6-4-11(5-7-12)10(3)20/h4-7,9,14H,8H2,1-3H3,(H,17,21)(H,18,23).
What are the key properties of N-(4-acetylphenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide?
N-(4-acetylphenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide has a molecular weight of 317.35 g/mol, XLogP of 1.40, 5 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-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 18097274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).