2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C14H18F3N3O4 — CID 7799903

IUPAC2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESC[C@@H]1CCCC[C@@H]1N1C(=O)C(=O)N(CC(=O)NCC(F)(F)F)C1=O
InChIInChI=1S/C14H18F3N3O4/c1-8-4-2-3-5-9(8)20-12(23)11(22)19(13(20)24)6-10(21)18-7-14(15,16)17/h8-9H,2-7H2,1H3,(H,18,21)/t8-,9+/m1/s1
InChIKeyASPZSGDLLCXRTL-BDAKNGLRSA-N
MW349.31 g/mol
LogP1.03
Rot. Bonds4

About 2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 7799903) has the molecular formula C14H18F3N3O4 and a molecular weight of 349.31 g/mol. Its IUPAC name is 2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID7799903
Molecular FormulaC14H18F3N3O4
Molecular Weight349.31 g/mol
Exact Mass349.12
IUPAC Name2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESC[C@@H]1CCCC[C@@H]1N1C(=O)C(=O)N(CC(=O)NCC(F)(F)F)C1=O
InChIInChI=1S/C14H18F3N3O4/c1-8-4-2-3-5-9(8)20-12(23)11(22)19(13(20)24)6-10(21)18-7-14(15,16)17/h8-9H,2-7H2,1H3,(H,18,21)/t8-,9+/m1/s1
InChIKeyASPZSGDLLCXRTL-BDAKNGLRSA-N
XLogP1.03
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 51.03
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'}

Analyze 2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-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

Related Compounds

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 24982857
N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
CID 3692535
N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide
CID 2980567
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 9207452
N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide
CID 2969295
3-(Cyclohexylmethyl)-5-sec-butyl-imidazolidine-2,4-dione
CID 5273852
2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 3643364
N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-cyclohexylpropanamide
CID 4034918
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 4572696
1-[2-[Cyclohexylmethyl(methyl)amino]acetyl]imidazolidin-2-one
CID 36721795
N-methyl-2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 75364955
N-(3-bicyclo[3.1.0]hexanyl)-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide
CID 128915846

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 7799903) is 2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is C[C@@H]1CCCC[C@@H]1N1C(=O)C(=O)N(CC(=O)NCC(F)(F)F)C1=O.
What is the InChIKey of 2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ASPZSGDLLCXRTL-BDAKNGLRSA-N. The full InChI is InChI=1S/C14H18F3N3O4/c1-8-4-2-3-5-9(8)20-12(23)11(22)19(13(20)24)6-10(21)18-7-14(15,16)17/h8-9H,2-7H2,1H3,(H,18,21)/t8-,9+/m1/s1.
What are the key properties of 2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 349.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 7799903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).