2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide

C17H19N3O5 — CID 7824265

IUPAC2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCCN1C(=O)C(=O)N(CC(=O)N[C@H](Cc2ccccc2)C(C)=O)C1=O
InChIInChI=1S/C17H19N3O5/c1-3-19-15(23)16(24)20(17(19)25)10-14(22)18-13(11(2)21)9-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,18,22)/t13-/m1/s1
InChIKeyLIPIAZBIFJARHZ-CYBMUJFWSA-N
MW345.36 g/mol
LogP0.11
Rot. Bonds7

About 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide

2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide (PubChem CID 7824265) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
PubChem CID7824265
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCCN1C(=O)C(=O)N(CC(=O)N[C@H](Cc2ccccc2)C(C)=O)C1=O
InChIInChI=1S/C17H19N3O5/c1-3-19-15(23)16(24)20(17(19)25)10-14(22)18-13(11(2)21)9-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,18,22)/t13-/m1/s1
InChIKeyLIPIAZBIFJARHZ-CYBMUJFWSA-N
XLogP0.11
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.11
H-Bond Donors ≤ 51
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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Related Compounds

2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7756589
2-(azepan-1-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 18269301
2-(azocan-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 2496918
(2R)-2-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 119367288
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 7819698
2-(4-benzylpiperazin-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7809338
N-(3-oxo-1-phenylbutan-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 75479453
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634196
2-(4-methylpiperidin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8543566
6-(2,5-dioxopyrrol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]hexanamide
CID 170735798
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804609
2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8704361

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide (CID 7824265) is 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide is CCN1C(=O)C(=O)N(CC(=O)N[C@H](Cc2ccccc2)C(C)=O)C1=O.
What is the InChIKey of 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide?
The InChIKey is LIPIAZBIFJARHZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-3-19-15(23)16(24)20(17(19)25)10-14(22)18-13(11(2)21)9-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,18,22)/t13-/m1/s1.
What are the key properties of 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide?
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide has a molecular weight of 345.36 g/mol, XLogP of 0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 7824265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).