N-(4-propan-2-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide

C17H21N3O4 — CID 7652393

IUPACN-(4-propan-2-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1
InChIInChI=1S/C17H21N3O4/c1-10(2)12-5-7-13(8-6-12)18-14(21)9-19-15(22)16(23)20(11(3)4)17(19)24/h5-8,10-11H,9H2,1-4H3,(H,18,21)
InChIKeyHHMOXKBFKNFDJX-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.95
Rot. Bonds5

About N-(4-propan-2-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide

N-(4-propan-2-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide (PubChem CID 7652393) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
PubChem CID7652393
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-(4-propan-2-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1
InChIInChI=1S/C17H21N3O4/c1-10(2)12-5-7-13(8-6-12)18-14(21)9-19-15(22)16(23)20(11(3)4)17(19)24/h5-8,10-11H,9H2,1-4H3,(H,18,21)
InChIKeyHHMOXKBFKNFDJX-UHFFFAOYSA-N
XLogP1.95
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-propan-2-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(dimethylamino)phenyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7762086
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 2574652
N-(4-morpholin-4-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7259158
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 112779006
N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975817
N-(2-ethylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975944
N-(3-methylsulfonylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 8988510
N-[(1R)-1-phenylethyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975986
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 113202039
N-[4-(dimethylamino)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574686
N-(2-ethyl-6-methylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975795
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2436338

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide (CID 7652393) is N-(4-propan-2-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide is CC(C)c1ccc(NC(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The InChIKey is HHMOXKBFKNFDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-10(2)12-5-7-13(8-6-12)18-14(21)9-19-15(22)16(23)20(11(3)4)17(19)24/h5-8,10-11H,9H2,1-4H3,(H,18,21).
What are the key properties of N-(4-propan-2-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
N-(4-propan-2-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide has a molecular weight of 331.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 7652393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).