ethyl 2-[4-(2-ethoxy-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]butanoate

C14H22N2O6 — CID 24839037

IUPACethyl 2-[4-(2-ethoxy-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]butanoate
SMILESCCOC(=O)CC1(C)NC(=O)N(C(CC)C(=O)OCC)C1=O
InChIInChI=1S/C14H22N2O6/c1-5-9(11(18)22-7-3)16-12(19)14(4,15-13(16)20)8-10(17)21-6-2/h9H,5-8H2,1-4H3,(H,15,20)
InChIKeyCFVVEVPUESGKJB-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.59
Rot. Bonds7

About ethyl 2-[4-(2-ethoxy-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]butanoate

ethyl 2-[4-(2-ethoxy-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]butanoate (PubChem CID 24839037) has the molecular formula C14H22N2O6 and a molecular weight of 314.34 g/mol. Its IUPAC name is ethyl 2-[4-(2-ethoxy-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 2-[4-(2-ethoxy-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]butanoate
PubChem CID24839037
Molecular FormulaC14H22N2O6
Molecular Weight314.34 g/mol
Exact Mass314.15
IUPAC Nameethyl 2-[4-(2-ethoxy-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]butanoate
SMILESCCOC(=O)CC1(C)NC(=O)N(C(CC)C(=O)OCC)C1=O
InChIInChI=1S/C14H22N2O6/c1-5-9(11(18)22-7-3)16-12(19)14(4,15-13(16)20)8-10(17)21-6-2/h9H,5-8H2,1-4H3,(H,15,20)
InChIKeyCFVVEVPUESGKJB-UHFFFAOYSA-N
XLogP0.59
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-ethoxy-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]butanoate?
The IUPAC name of ethyl 2-[4-(2-ethoxy-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]butanoate (CID 24839037) is ethyl 2-[4-(2-ethoxy-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]butanoate.
What is the SMILES notation for ethyl 2-[4-(2-ethoxy-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]butanoate?
The canonical SMILES for ethyl 2-[4-(2-ethoxy-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]butanoate is CCOC(=O)CC1(C)NC(=O)N(C(CC)C(=O)OCC)C1=O.
What is the InChIKey of ethyl 2-[4-(2-ethoxy-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]butanoate?
The InChIKey is CFVVEVPUESGKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O6/c1-5-9(11(18)22-7-3)16-12(19)14(4,15-13(16)20)8-10(17)21-6-2/h9H,5-8H2,1-4H3,(H,15,20).
What are the key properties of ethyl 2-[4-(2-ethoxy-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]butanoate?
ethyl 2-[4-(2-ethoxy-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]butanoate has a molecular weight of 314.34 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-ethoxy-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]butanoate is sourced from PubChem (CID 24839037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).