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

C11H16F3N3O3 — CID 2115760

IUPAC2-[(4R)-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-/m1/s1
InChIKeyRFDAESOBRVUIDB-SSDOTTSWSA-N
MW295.26 g/mol
LogP0.63
Rot. Bonds5

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

2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 2115760) has the molecular formula C11H16F3N3O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is 2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID2115760
Molecular FormulaC11H16F3N3O3
Molecular Weight295.26 g/mol
Exact Mass295.11
IUPAC Name2-[(4R)-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-/m1/s1
InChIKeyRFDAESOBRVUIDB-SSDOTTSWSA-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'}

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Related Compounds

N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
CID 2969407
5-(2-Methylpropyl)imidazolidine-2,4-dione
CID 100892
N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
CID 4432972
N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
CID 3692535
(2S)-1-[(2S)-2-(Dimethylcarbamoylamino)-3-methylbutanoyl]-N-[(3S)-5,5,6,6,6-pentafluoro-2-methyl-4-oxohexan-3-yl]pyrrolidine-2-carboxamide
CID 10005629
N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]pentanamide
CID 2968907
N-cyclohexyl-N-methyl-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4520677
5-sec-Butylhydantoin
CID 182347
(S)-5-(Isobutyl)imidazolidine-2,4-dione
CID 700302
d-5-Isobutylhydantoin
CID 700303
N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide
CID 2980567
N-cyclohexyl-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16293462

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 2115760) is 2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(4R)-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-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RFDAESOBRVUIDB-SSDOTTSWSA-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-/m1/s1.
What are the key properties of 2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(4R)-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-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 2115760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).