ethyl 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetate

C14H14N2O5 — CID 2767604

IUPACethyl 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetate
SMILESCCOC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C14H14N2O5/c1-2-21-11(17)9-16-13(19)12(18)15(14(16)20)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyGWNYBYFEIPDOHJ-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.54
Rot. Bonds5

About ethyl 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetate

ethyl 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetate (PubChem CID 2767604) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is ethyl 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetate
PubChem CID2767604
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Nameethyl 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetate
SMILESCCOC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C14H14N2O5/c1-2-21-11(17)9-16-13(19)12(18)15(14(16)20)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyGWNYBYFEIPDOHJ-UHFFFAOYSA-N
XLogP0.54
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetate?
The IUPAC name of ethyl 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetate (CID 2767604) is ethyl 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetate is CCOC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of ethyl 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetate?
The InChIKey is GWNYBYFEIPDOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-2-21-11(17)9-16-13(19)12(18)15(14(16)20)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3.
What are the key properties of ethyl 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetate?
ethyl 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetate has a molecular weight of 290.28 g/mol, XLogP of 0.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 2767604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).