3-[[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetyl]amino]-N-methylbenzamide

C16H20N4O4 — CID 24582125

IUPAC3-[[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CN2C(=O)NC(C(C)C)C2=O)c1
InChIInChI=1S/C16H20N4O4/c1-9(2)13-15(23)20(16(24)19-13)8-12(21)18-11-6-4-5-10(7-11)14(22)17-3/h4-7,9,13H,8H2,1-3H3,(H,17,22)(H,18,21)(H,19,24)
InChIKeyMZGHIBJJNVOYBR-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.56
Rot. Bonds5

About 3-[[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetyl]amino]-N-methylbenzamide

3-[[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetyl]amino]-N-methylbenzamide (PubChem CID 24582125) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetyl]amino]-N-methylbenzamide
PubChem CID24582125
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name3-[[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CN2C(=O)NC(C(C)C)C2=O)c1
InChIInChI=1S/C16H20N4O4/c1-9(2)13-15(23)20(16(24)19-13)8-12(21)18-11-6-4-5-10(7-11)14(22)17-3/h4-7,9,13H,8H2,1-3H3,(H,17,22)(H,18,21)(H,19,24)
InChIKeyMZGHIBJJNVOYBR-UHFFFAOYSA-N
XLogP0.56
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 41089956
N-(4-acetylphenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide
CID 18097274
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(4-iodophenyl)acetamide
CID 55435726
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 18287991
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
N-(4-chloro-3-nitrophenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide
CID 18097275
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 18225476
3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide
CID 8679990
N-(4-bromo-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetamide
CID 25363542

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetyl]amino]-N-methylbenzamide (CID 24582125) is 3-[[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)CN2C(=O)NC(C(C)C)C2=O)c1.
What is the InChIKey of 3-[[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetyl]amino]-N-methylbenzamide?
The InChIKey is MZGHIBJJNVOYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-9(2)13-15(23)20(16(24)19-13)8-12(21)18-11-6-4-5-10(7-11)14(22)17-3/h4-7,9,13H,8H2,1-3H3,(H,17,22)(H,18,21)(H,19,24).
What are the key properties of 3-[[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetyl]amino]-N-methylbenzamide?
3-[[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetyl]amino]-N-methylbenzamide has a molecular weight of 332.36 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 24582125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).