2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

C12H15F3N4O5 — CID 8851907

IUPAC2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)NC(=O)NCC(F)(F)F)C1=O
InChIInChI=1S/C12H15F3N4O5/c1-6(2)3-18-8(21)9(22)19(11(18)24)4-7(20)17-10(23)16-5-12(13,14)15/h6H,3-5H2,1-2H3,(H2,16,17,20,23)
InChIKeyOIXRXFUUPMHWTF-UHFFFAOYSA-N
MW352.27 g/mol
LogP-0.18
Rot. Bonds5

About 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 8851907) has the molecular formula C12H15F3N4O5 and a molecular weight of 352.27 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID8851907
Molecular FormulaC12H15F3N4O5
Molecular Weight352.27 g/mol
Exact Mass352.10
IUPAC Name2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)NC(=O)NCC(F)(F)F)C1=O
InChIInChI=1S/C12H15F3N4O5/c1-6(2)3-18-8(21)9(22)19(11(18)24)4-7(20)17-10(23)16-5-12(13,14)15/h6H,3-5H2,1-2H3,(H2,16,17,20,23)
InChIKeyOIXRXFUUPMHWTF-UHFFFAOYSA-N
XLogP-0.18
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
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 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 8851907) is 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is CC(C)CN1C(=O)C(=O)N(CC(=O)NC(=O)NCC(F)(F)F)C1=O.
What is the InChIKey of 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is OIXRXFUUPMHWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O5/c1-6(2)3-18-8(21)9(22)19(11(18)24)4-7(20)17-10(23)16-5-12(13,14)15/h6H,3-5H2,1-2H3,(H2,16,17,20,23).
What are the key properties of 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 352.27 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 8851907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).