2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide

C12H19N3O4 — CID 34718348

IUPAC2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCN1C(=O)C(=O)N(CC(=O)NC(C)(C)CC)C1=O
InChIInChI=1S/C12H19N3O4/c1-5-12(3,4)13-8(16)7-15-10(18)9(17)14(6-2)11(15)19/h5-7H2,1-4H3,(H,13,16)
InChIKeyXOCBQCNGNUYJKA-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.10
Rot. Bonds5

About 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide

2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 34718348) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
PubChem CID34718348
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCN1C(=O)C(=O)N(CC(=O)NC(C)(C)CC)C1=O
InChIInChI=1S/C12H19N3O4/c1-5-12(3,4)13-8(16)7-15-10(18)9(17)14(6-2)11(15)19/h5-7H2,1-4H3,(H,13,16)
InChIKeyXOCBQCNGNUYJKA-UHFFFAOYSA-N
XLogP0.10
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride
CID 119525088
N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30989737
N-(2-methylbutan-2-yl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 115646866
N-(2-methylbutan-2-yl)-2-(5-methyl-2,3-dioxoindol-1-yl)acetamide
CID 61485983
(2R)-N-ethyl-2-[[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanamide
CID 9374548
N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7824261
N-(cyclohexylmethyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2518119
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 7824204
N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 9342014
2-(4,5-dimethylimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 115616718
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 9374526
2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 61486141

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide (CID 34718348) is 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide is CCN1C(=O)C(=O)N(CC(=O)NC(C)(C)CC)C1=O.
What is the InChIKey of 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is XOCBQCNGNUYJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-5-12(3,4)13-8(16)7-15-10(18)9(17)14(6-2)11(15)19/h5-7H2,1-4H3,(H,13,16).
What are the key properties of 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide?
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 269.30 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 34718348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).