[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 2-ethoxyacetate

C17H21N3O6 — CID 9289684

IUPAC[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O
InChIInChI=1S/C17H21N3O6/c1-3-17(12-8-6-5-7-9-12)15(23)20(16(24)18-17)19-13(21)10-26-14(22)11-25-4-2/h5-9H,3-4,10-11H2,1-2H3,(H,18,24)(H,19,21)/t17-/m1/s1
InChIKeyOVVIHGXWYXVHTJ-QGZVFWFLSA-N
MW363.37 g/mol
LogP0.45
Rot. Bonds8

About [2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 2-ethoxyacetate

[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 2-ethoxyacetate (PubChem CID 9289684) has the molecular formula C17H21N3O6 and a molecular weight of 363.37 g/mol. Its IUPAC name is [2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 2-ethoxyacetate.

Molecular Properties

Compound Name[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 2-ethoxyacetate
PubChem CID9289684
Molecular FormulaC17H21N3O6
Molecular Weight363.37 g/mol
Exact Mass363.14
IUPAC Name[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O
InChIInChI=1S/C17H21N3O6/c1-3-17(12-8-6-5-7-9-12)15(23)20(16(24)18-17)19-13(21)10-26-14(22)11-25-4-2/h5-9H,3-4,10-11H2,1-2H3,(H,18,24)(H,19,21)/t17-/m1/s1
InChIKeyOVVIHGXWYXVHTJ-QGZVFWFLSA-N
XLogP0.45
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 2-ethoxyacetate with MolForge

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Related Compounds

2-(4-ethoxyphenoxy)-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 9294106
[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 9197116
[2-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290711
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(2-methoxyphenoxy)acetamide
CID 9293917
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(4-fluorophenoxy)acetamide
CID 9012529
[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 2-ethoxyacetate
CID 9289686
[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 9347999
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-phenylpropanamide
CID 9293628
2-(azocan-1-yl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 25435064
2-(3-cyanophenoxy)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 9334906
3-cyclopentyl-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide
CID 9293678
2-(4-acetylpiperazin-1-yl)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 43012938

Frequently Asked Questions

What is the IUPAC name of [2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 2-ethoxyacetate?
The IUPAC name of [2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 2-ethoxyacetate (CID 9289684) is [2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 2-ethoxyacetate.
What is the SMILES notation for [2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 2-ethoxyacetate?
The canonical SMILES for [2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 2-ethoxyacetate is CCOCC(=O)OCC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O.
What is the InChIKey of [2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 2-ethoxyacetate?
The InChIKey is OVVIHGXWYXVHTJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21N3O6/c1-3-17(12-8-6-5-7-9-12)15(23)20(16(24)18-17)19-13(21)10-26-14(22)11-25-4-2/h5-9H,3-4,10-11H2,1-2H3,(H,18,24)(H,19,21)/t17-/m1/s1.
What are the key properties of [2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 2-ethoxyacetate?
[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 2-ethoxyacetate has a molecular weight of 363.37 g/mol, XLogP of 0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 2-ethoxyacetate is sourced from PubChem (CID 9289684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).