ethyl 2-(2,5-dioxo-3-phenylimidazolidin-4-yl)acetate

C13H14N2O4 — CID 44614200

IUPACethyl 2-(2,5-dioxo-3-phenylimidazolidin-4-yl)acetate
SMILESCCOC(=O)CC1C(=O)NC(=O)N1c1ccccc1
InChIInChI=1S/C13H14N2O4/c1-2-19-11(16)8-10-12(17)14-13(18)15(10)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,14,17,18)
InChIKeyOLUQOYSGRJNZDU-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.06
Rot. Bonds4

About ethyl 2-(2,5-dioxo-3-phenylimidazolidin-4-yl)acetate

ethyl 2-(2,5-dioxo-3-phenylimidazolidin-4-yl)acetate (PubChem CID 44614200) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is ethyl 2-(2,5-dioxo-3-phenylimidazolidin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,5-dioxo-3-phenylimidazolidin-4-yl)acetate
PubChem CID44614200
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Nameethyl 2-(2,5-dioxo-3-phenylimidazolidin-4-yl)acetate
SMILESCCOC(=O)CC1C(=O)NC(=O)N1c1ccccc1
InChIInChI=1S/C13H14N2O4/c1-2-19-11(16)8-10-12(17)14-13(18)15(10)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,14,17,18)
InChIKeyOLUQOYSGRJNZDU-UHFFFAOYSA-N
XLogP1.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-(2,5-dioxo-3-phenylimidazolidin-4-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]acetate
CID 7172640
ethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate
CID 1479034
ethyl 2-[3-oxo-1-(3-phenylprop-2-enoyl)piperazin-2-yl]acetate
CID 71952358
ethyl 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 2997439
ethyl 2-(2,3-diphenylcycloprop-2-en-1-yl)acetate
CID 134888250
ethyl 2-(1,3-dioxoinden-2-yl)acetate
CID 13130488
ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate
CID 13164660
diethyl 4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-2,3-dicarboxylate
CID 101257938
ethyl 2-(2-tert-butyl-3-oxo-1H-isoindol-1-yl)acetate
CID 132520671
ethyl 2-cyano-2-[4-(2-methoxy-2-oxoethyl)-3-phenyl-1,4-dihydroquinazolin-2-ylidene]acetate
CID 71167341
benzyl 2-(5-methyl-3-oxo-2-phenyl-1H-isoindol-1-yl)acetate
CID 102261839
ethyl 2-(2-hydroxy-1-methyl-3H-indazol-3-yl)acetate
CID 175038908

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dioxo-3-phenylimidazolidin-4-yl)acetate?
The IUPAC name of ethyl 2-(2,5-dioxo-3-phenylimidazolidin-4-yl)acetate (CID 44614200) is ethyl 2-(2,5-dioxo-3-phenylimidazolidin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2,5-dioxo-3-phenylimidazolidin-4-yl)acetate?
The canonical SMILES for ethyl 2-(2,5-dioxo-3-phenylimidazolidin-4-yl)acetate is CCOC(=O)CC1C(=O)NC(=O)N1c1ccccc1.
What is the InChIKey of ethyl 2-(2,5-dioxo-3-phenylimidazolidin-4-yl)acetate?
The InChIKey is OLUQOYSGRJNZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-2-19-11(16)8-10-12(17)14-13(18)15(10)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,14,17,18).
What are the key properties of ethyl 2-(2,5-dioxo-3-phenylimidazolidin-4-yl)acetate?
ethyl 2-(2,5-dioxo-3-phenylimidazolidin-4-yl)acetate has a molecular weight of 262.26 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-dioxo-3-phenylimidazolidin-4-yl)acetate is sourced from PubChem (CID 44614200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).