3-(3,3-dimethyl-2-oxobutyl)-5,5-diethylimidazolidine-2,4-dione

C13H22N2O3 — CID 18776959

IUPAC3-(3,3-dimethyl-2-oxobutyl)-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(=O)C(C)(C)C)C1=O
InChIInChI=1S/C13H22N2O3/c1-6-13(7-2)10(17)15(11(18)14-13)8-9(16)12(3,4)5/h6-8H2,1-5H3,(H,14,18)
InChIKeyMLILHWHIYJHGLH-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.71
Rot. Bonds4

About 3-(3,3-dimethyl-2-oxobutyl)-5,5-diethylimidazolidine-2,4-dione

3-(3,3-dimethyl-2-oxobutyl)-5,5-diethylimidazolidine-2,4-dione (PubChem CID 18776959) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(3,3-dimethyl-2-oxobutyl)-5,5-diethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3,3-dimethyl-2-oxobutyl)-5,5-diethylimidazolidine-2,4-dione
PubChem CID18776959
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-(3,3-dimethyl-2-oxobutyl)-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(=O)C(C)(C)C)C1=O
InChIInChI=1S/C13H22N2O3/c1-6-13(7-2)10(17)15(11(18)14-13)8-9(16)12(3,4)5/h6-8H2,1-5H3,(H,14,18)
InChIKeyMLILHWHIYJHGLH-UHFFFAOYSA-N
XLogP1.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3,3-dimethyl-2-oxobutyl)-5,5-diethylimidazolidine-2,4-dione 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

(5R)-3-(3,3-dimethyl-2-oxobutyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 94154833
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119608170
3-(3,3-dimethyl-2-oxobutyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7180920
2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]acetic acid
CID 119346548
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 18775726
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N,N-bis(2-methylpropyl)acetamide
CID 84601319
5,5-diethyl-3-propylimidazolidine-2,4-dione
CID 78907676
N-(2-aminoethyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119384721
N-[[5-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide
CID 8522418
2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-methylamino]propanoic acid
CID 119358988
5,5-diethyl-3-[3-(4-fluorophenyl)-2-oxopropyl]imidazolidine-2,4-dione
CID 160817849
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
CID 119375972

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethyl-2-oxobutyl)-5,5-diethylimidazolidine-2,4-dione?
The IUPAC name of 3-(3,3-dimethyl-2-oxobutyl)-5,5-diethylimidazolidine-2,4-dione (CID 18776959) is 3-(3,3-dimethyl-2-oxobutyl)-5,5-diethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3,3-dimethyl-2-oxobutyl)-5,5-diethylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3,3-dimethyl-2-oxobutyl)-5,5-diethylimidazolidine-2,4-dione is CCC1(CC)NC(=O)N(CC(=O)C(C)(C)C)C1=O.
What is the InChIKey of 3-(3,3-dimethyl-2-oxobutyl)-5,5-diethylimidazolidine-2,4-dione?
The InChIKey is MLILHWHIYJHGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-6-13(7-2)10(17)15(11(18)14-13)8-9(16)12(3,4)5/h6-8H2,1-5H3,(H,14,18).
What are the key properties of 3-(3,3-dimethyl-2-oxobutyl)-5,5-diethylimidazolidine-2,4-dione?
3-(3,3-dimethyl-2-oxobutyl)-5,5-diethylimidazolidine-2,4-dione has a molecular weight of 254.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethyl-2-oxobutyl)-5,5-diethylimidazolidine-2,4-dione is sourced from PubChem (CID 18776959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).