3-[2-(diethylamino)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione

C12H23N3O2 — CID 3028667

IUPAC3-[2-(diethylamino)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCN(CC)CCN1C(=O)NC(C)(CC)C1=O
InChIInChI=1S/C12H23N3O2/c1-5-12(4)10(16)15(11(17)13-12)9-8-14(6-2)7-3/h5-9H2,1-4H3,(H,13,17)
InChIKeyLQXPJZVUYGCAET-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.05
Rot. Bonds6

About 3-[2-(diethylamino)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione

3-[2-(diethylamino)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 3028667) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID3028667
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-[2-(diethylamino)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCN(CC)CCN1C(=O)NC(C)(CC)C1=O
InChIInChI=1S/C12H23N3O2/c1-5-12(4)10(16)15(11(17)13-12)9-8-14(6-2)7-3/h5-9H2,1-4H3,(H,13,17)
InChIKeyLQXPJZVUYGCAET-UHFFFAOYSA-N
XLogP1.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Ethyl-5-methylhydantoin
CID 82162
1,5,5-Trimethylimidazolidine-2,4-dione
CID 81295
5-Isopropylhydantoin
CID 103033
3,5,5-Trimethylimidazolidine-2,4-dione
CID 237560
N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
CID 4432972
5,5-Dimethyl-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione
CID 6501454
3-Ethyl-5,5-dimethylimidazolidine-2,4-dione
CID 588189
N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]acetamide
CID 2968525
AC1Lgxvo
CID 853633
(5R)-5-(propan-2-yl)imidazolidine-2,4-dione
CID 853634
3-Cyclopentyl-5-isopropyl-imidazolidine-2,4-dione
CID 5273848
3-Cyclohexyl-5-isopropylimidazolidine-2,4-dione
CID 5273849

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(diethylamino)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione (CID 3028667) is 3-[2-(diethylamino)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(diethylamino)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione is CCN(CC)CCN1C(=O)NC(C)(CC)C1=O.
What is the InChIKey of 3-[2-(diethylamino)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is LQXPJZVUYGCAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-5-12(4)10(16)15(11(17)13-12)9-8-14(6-2)7-3/h5-9H2,1-4H3,(H,13,17).
What are the key properties of 3-[2-(diethylamino)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
3-[2-(diethylamino)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 241.33 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 3028667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).