2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C11H16F3N3O3 — CID 2115759

IUPAC2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)C[C@@H]1NC(=O)N(CC(=O)NCC(F)(F)F)C1=O
InChIInChI=1S/C11H16F3N3O3/c1-6(2)3-7-9(19)17(10(20)16-7)4-8(18)15-5-11(12,13)14/h6-7H,3-5H2,1-2H3,(H,15,18)(H,16,20)/t7-/m0/s1
InChIKeyRFDAESOBRVUIDB-ZETCQYMHSA-N
MW295.26 g/mol
LogP0.63
Rot. Bonds5

About 2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 2115759) has the molecular formula C11H16F3N3O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is 2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID2115759
Molecular FormulaC11H16F3N3O3
Molecular Weight295.26 g/mol
Exact Mass295.11
IUPAC Name2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)C[C@@H]1NC(=O)N(CC(=O)NCC(F)(F)F)C1=O
InChIInChI=1S/C11H16F3N3O3/c1-6(2)3-7-9(19)17(10(20)16-7)4-8(18)15-5-11(12,13)14/h6-7H,3-5H2,1-2H3,(H,15,18)(H,16,20)/t7-/m0/s1
InChIKeyRFDAESOBRVUIDB-ZETCQYMHSA-N
XLogP0.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)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-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 2115759) is 2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CC(C)C[C@@H]1NC(=O)N(CC(=O)NCC(F)(F)F)C1=O.
What is the InChIKey of 2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RFDAESOBRVUIDB-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H16F3N3O3/c1-6(2)3-7-9(19)17(10(20)16-7)4-8(18)15-5-11(12,13)14/h6-7H,3-5H2,1-2H3,(H,15,18)(H,16,20)/t7-/m0/s1.
What are the key properties of 2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 295.26 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 2115759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).