3-tert-butyl-1-(2-methoxyethyl)imidazolidine-2,4-dione

C10H18N2O3 — CID 79282153

IUPAC3-tert-butyl-1-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCOCCN1CC(=O)N(C(C)(C)C)C1=O
InChIInChI=1S/C10H18N2O3/c1-10(2,3)12-8(13)7-11(9(12)14)5-6-15-4/h5-7H2,1-4H3
InChIKeyAYPCWWYHPQHKMU-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.70
Rot. Bonds3

About 3-tert-butyl-1-(2-methoxyethyl)imidazolidine-2,4-dione

3-tert-butyl-1-(2-methoxyethyl)imidazolidine-2,4-dione (PubChem CID 79282153) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-tert-butyl-1-(2-methoxyethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-tert-butyl-1-(2-methoxyethyl)imidazolidine-2,4-dione
PubChem CID79282153
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-tert-butyl-1-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCOCCN1CC(=O)N(C(C)(C)C)C1=O
InChIInChI=1S/C10H18N2O3/c1-10(2,3)12-8(13)7-11(9(12)14)5-6-15-4/h5-7H2,1-4H3
InChIKeyAYPCWWYHPQHKMU-UHFFFAOYSA-N
XLogP0.70
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-Bis(2-hydroxyethyl)-5,5-dimethyl-2,4-imidazolidinedione
CID 117879
3-Tert-butyl-1-methylimidazolidine-2,4-dione
CID 16093104
1-Tert-butyl-3-methylimidazolidin-2,4-dione
CID 21862191
1-(2-Methylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4,5-trione
CID 4858489
1-(1-Isobutoxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidine
CID 593364
Ethyl 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetate
CID 15096137
5,5-Dimethyl-1-(oxiran-2-ylmethyl)-3-propylimidazolidine-2,4-dione
CID 18388502
1-(2-Cyanoethyl)-3-(2-vinyloxyethyl)-5,5-dimethylhydantoin
CID 20285631
3-(2-Hydroxyethyl)-1,5,5-trimethylimidazolidine-2,4-dione
CID 20327281
(4,4-Dimethyl-2,5-dioxoimidazolidine-1,3-diyl)di(ethane-2,1-diyl) diacetate
CID 20574120
1-[2-(2,2-Dimethylpropoxy)ethyl]imidazolidine-2,4,5-trione
CID 21027107
3-[2-(2,2-Dimethylpropoxy)ethyl]-1-methylimidazolidine-2,4-dione
CID 21027116

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2-methoxyethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-tert-butyl-1-(2-methoxyethyl)imidazolidine-2,4-dione (CID 79282153) is 3-tert-butyl-1-(2-methoxyethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-tert-butyl-1-(2-methoxyethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-tert-butyl-1-(2-methoxyethyl)imidazolidine-2,4-dione is COCCN1CC(=O)N(C(C)(C)C)C1=O.
What is the InChIKey of 3-tert-butyl-1-(2-methoxyethyl)imidazolidine-2,4-dione?
The InChIKey is AYPCWWYHPQHKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2,3)12-8(13)7-11(9(12)14)5-6-15-4/h5-7H2,1-4H3.
What are the key properties of 3-tert-butyl-1-(2-methoxyethyl)imidazolidine-2,4-dione?
3-tert-butyl-1-(2-methoxyethyl)imidazolidine-2,4-dione has a molecular weight of 214.26 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2-methoxyethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 79282153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).