ethyl 2-(1-tert-butyl-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl)acetate

C14H22N2O4 — CID 44613953

IUPACethyl 2-(1-tert-butyl-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl)acetate
SMILESC=CCN1C(=O)N(C(C)(C)C)C(=O)C1CC(=O)OCC
InChIInChI=1S/C14H22N2O4/c1-6-8-15-10(9-11(17)20-7-2)12(18)16(13(15)19)14(3,4)5/h6,10H,1,7-9H2,2-5H3
InChIKeyBYQIUPRVHSLPQX-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.56
Rot. Bonds5

About ethyl 2-(1-tert-butyl-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl)acetate

ethyl 2-(1-tert-butyl-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl)acetate (PubChem CID 44613953) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 2-(1-tert-butyl-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-tert-butyl-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl)acetate
PubChem CID44613953
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nameethyl 2-(1-tert-butyl-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl)acetate
SMILESC=CCN1C(=O)N(C(C)(C)C)C(=O)C1CC(=O)OCC
InChIInChI=1S/C14H22N2O4/c1-6-8-15-10(9-11(17)20-7-2)12(18)16(13(15)19)14(3,4)5/h6,10H,1,7-9H2,2-5H3
InChIKeyBYQIUPRVHSLPQX-UHFFFAOYSA-N
XLogP1.56
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(3-oxo-4-prop-2-enylpiperazin-2-yl)acetate;hydrochloride
CID 110283016
2-[4-(2-ethoxy-2-oxoethyl)-2,5-dioxo-3-[3-(trimethoxy-λ4-sulfanyl)propyl]imidazolidin-1-yl]ethyl prop-2-enoate
CID 177172285
6-ethyl-3-methyl-1-prop-2-enylpiperazine-2,5-dione
CID 64873287
ethyl 2-(2-tert-butyl-3-oxo-1H-isoindol-1-yl)acetate
CID 132520671
ethyl 2-(2,3-ditert-butyl-4-oxo-1,3-thiazolidin-5-yl)acetate
CID 130399731
N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
CID 17118497
diethyl 2-ethoxy-5-oxo-1-prop-2-enylpyrrolidine-3,3-dicarboxylate
CID 135019100
ethyl 2-(1-cyclohexyl-3-oxoazetidin-2-yl)acetate
CID 11499668
ethyl 2-(4-prop-2-enylcyclohexyl)acetate
CID 89472943
ethyl 3-methylsulfanyl-5-oxo-2-prop-2-enyl-1,2,4-triazine-6-carboxylate
CID 118655212
ethyl 2-(3-ethyl-5-imino-2-oxoimidazolidin-4-yl)acetate
CID 138389539
4,5-dihydroxy-1,3-bis(prop-2-enyl)imidazolidin-2-one
CID 70257866

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-tert-butyl-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl)acetate?
The IUPAC name of ethyl 2-(1-tert-butyl-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl)acetate (CID 44613953) is ethyl 2-(1-tert-butyl-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(1-tert-butyl-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl)acetate?
The canonical SMILES for ethyl 2-(1-tert-butyl-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl)acetate is C=CCN1C(=O)N(C(C)(C)C)C(=O)C1CC(=O)OCC.
What is the InChIKey of ethyl 2-(1-tert-butyl-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl)acetate?
The InChIKey is BYQIUPRVHSLPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-6-8-15-10(9-11(17)20-7-2)12(18)16(13(15)19)14(3,4)5/h6,10H,1,7-9H2,2-5H3.
What are the key properties of ethyl 2-(1-tert-butyl-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl)acetate?
ethyl 2-(1-tert-butyl-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl)acetate has a molecular weight of 282.34 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-tert-butyl-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl)acetate is sourced from PubChem (CID 44613953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).