2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide

C8H10F3N3O4 — CID 81339743

IUPAC2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide
SMILESCN1CC(=O)N(CC(=O)NOCC(F)(F)F)C1=O
InChIInChI=1S/C8H10F3N3O4/c1-13-3-6(16)14(7(13)17)2-5(15)12-18-4-8(9,10)11/h2-4H2,1H3,(H,12,15)
InChIKeyIZKQOTJSDOAAPG-UHFFFAOYSA-N
MW269.18 g/mol
LogP-0.51
Rot. Bonds4

About 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide

2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 81339743) has the molecular formula C8H10F3N3O4 and a molecular weight of 269.18 g/mol. Its IUPAC name is 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide
PubChem CID81339743
Molecular FormulaC8H10F3N3O4
Molecular Weight269.18 g/mol
Exact Mass269.06
IUPAC Name2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide
SMILESCN1CC(=O)N(CC(=O)NOCC(F)(F)F)C1=O
InChIInChI=1S/C8H10F3N3O4/c1-13-3-6(16)14(7(13)17)2-5(15)12-18-4-8(9,10)11/h2-4H2,1H3,(H,12,15)
InChIKeyIZKQOTJSDOAAPG-UHFFFAOYSA-N
XLogP-0.51
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide (CID 81339743) is 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide is CN1CC(=O)N(CC(=O)NOCC(F)(F)F)C1=O.
What is the InChIKey of 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is IZKQOTJSDOAAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O4/c1-13-3-6(16)14(7(13)17)2-5(15)12-18-4-8(9,10)11/h2-4H2,1H3,(H,12,15).
What are the key properties of 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide?
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 269.18 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 81339743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).