3-(2,2-dimethylbutyl)-1-ethylimidazolidine-2,4-dione

C11H20N2O2 — CID 148689026

IUPAC3-(2,2-dimethylbutyl)-1-ethylimidazolidine-2,4-dione
SMILESCCN1CC(=O)N(CC(C)(C)CC)C1=O
InChIInChI=1S/C11H20N2O2/c1-5-11(3,4)8-13-9(14)7-12(6-2)10(13)15/h5-8H2,1-4H3
InChIKeyQESHHFLAQRFQSJ-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.71
Rot. Bonds4

About 3-(2,2-dimethylbutyl)-1-ethylimidazolidine-2,4-dione

3-(2,2-dimethylbutyl)-1-ethylimidazolidine-2,4-dione (PubChem CID 148689026) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-(2,2-dimethylbutyl)-1-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2,2-dimethylbutyl)-1-ethylimidazolidine-2,4-dione
PubChem CID148689026
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-(2,2-dimethylbutyl)-1-ethylimidazolidine-2,4-dione
SMILESCCN1CC(=O)N(CC(C)(C)CC)C1=O
InChIInChI=1S/C11H20N2O2/c1-5-11(3,4)8-13-9(14)7-12(6-2)10(13)15/h5-8H2,1-4H3
InChIKeyQESHHFLAQRFQSJ-UHFFFAOYSA-N
XLogP1.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Butyl-3-methyl-2,4,5-trioxoimidazolidine
CID 544944
1,3-Dipropylimidazolidine-2,4,5-trione
CID 140791
1,5,5-Trimethyl-3-(propan-2-yl)imidazolidine-2,4-dione
CID 14975700
(2R)-2-tert-butyl-1-hydroxy-2,3-dimethylimidazolidin-4-one
CID 135086218
3-(3-Fluorobutyl)-1-methylimidazolidine-2,4-dione
CID 130715487
3-(2-Fluorobutyl)-1-methylimidazolidine-2,4-dione
CID 131041947
2-[3-[(1-fluorocyclopropyl)methyl]-2,4-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
CID 146100740
3-(3,3-Dimethylpentyl)-1-(3-fluorobutyl)imidazolidine-2,4-dione
CID 167906911
1-Methyl-3-neo-pentyl-2,4,5-trioxoimidazolidine
CID 546469
Imidazolidinetrione, methyl(3-methylbutyl)-
CID 551047
2-t-Butyl-1,3-dimethyl-imidazolidin-4-one
CID 574684
Imidazolidine, 1,3-bis(2,2-dimethyl-1-oxopropyl)-
CID 3828759

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylbutyl)-1-ethylimidazolidine-2,4-dione?
The IUPAC name of 3-(2,2-dimethylbutyl)-1-ethylimidazolidine-2,4-dione (CID 148689026) is 3-(2,2-dimethylbutyl)-1-ethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2,2-dimethylbutyl)-1-ethylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2,2-dimethylbutyl)-1-ethylimidazolidine-2,4-dione is CCN1CC(=O)N(CC(C)(C)CC)C1=O.
What is the InChIKey of 3-(2,2-dimethylbutyl)-1-ethylimidazolidine-2,4-dione?
The InChIKey is QESHHFLAQRFQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-11(3,4)8-13-9(14)7-12(6-2)10(13)15/h5-8H2,1-4H3.
What are the key properties of 3-(2,2-dimethylbutyl)-1-ethylimidazolidine-2,4-dione?
3-(2,2-dimethylbutyl)-1-ethylimidazolidine-2,4-dione has a molecular weight of 212.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylbutyl)-1-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 148689026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).