2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide

C17H21N3O4 — CID 4666685

IUPAC2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
SMILESCCCCN1C(=O)C(=O)N(CC(=O)Nc2cc(C)ccc2C)C1=O
InChIInChI=1S/C17H21N3O4/c1-4-5-8-19-15(22)16(23)20(17(19)24)10-14(21)18-13-9-11(2)6-7-12(13)3/h6-7,9H,4-5,8,10H2,1-3H3,(H,18,21)
InChIKeyQEBJNRLXKFDHBR-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.83
Rot. Bonds6

About 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide

2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide (PubChem CID 4666685) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
PubChem CID4666685
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
SMILESCCCCN1C(=O)C(=O)N(CC(=O)Nc2cc(C)ccc2C)C1=O
InChIInChI=1S/C17H21N3O4/c1-4-5-8-19-15(22)16(23)20(17(19)24)10-14(21)18-13-9-11(2)6-7-12(13)3/h6-7,9H,4-5,8,10H2,1-3H3,(H,18,21)
InChIKeyQEBJNRLXKFDHBR-UHFFFAOYSA-N
XLogP1.83
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.83
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 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethylphenyl)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

[2-(2,5-dimethylanilino)-2-oxoethyl] 2-butyl-1,3-dioxoisoindole-5-carboxylate
CID 7624685
2-butyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 8914540
N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 3354455
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7738311
N-(2,5-dimethylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850304
N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196969
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 7898424
N-(2-benzoylphenyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7359700
N-(2,5-dimethylphenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 2579807
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-fluoro-2-nitrophenyl)acetamide
CID 3594113
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 2489578
N-(2-fluoro-4-methylphenyl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756792

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide (CID 4666685) is 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide is CCCCN1C(=O)C(=O)N(CC(=O)Nc2cc(C)ccc2C)C1=O.
What is the InChIKey of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is QEBJNRLXKFDHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-4-5-8-19-15(22)16(23)20(17(19)24)10-14(21)18-13-9-11(2)6-7-12(13)3/h6-7,9H,4-5,8,10H2,1-3H3,(H,18,21).
What are the key properties of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide?
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 331.37 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 4666685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).