[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate

C17H19F2N3O6 — CID 55311241

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2ccccc2OC(F)F)C1=O
InChIInChI=1S/C17H19F2N3O6/c1-3-17(2)14(25)22(16(26)21-17)8-13(24)27-9-12(23)20-10-6-4-5-7-11(10)28-15(18)19/h4-7,15H,3,8-9H2,1-2H3,(H,20,23)(H,21,26)
InChIKeyOGSTVGJSTOUHNY-UHFFFAOYSA-N
MW399.35 g/mol
LogP1.49
Rot. Bonds8

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 55311241) has the molecular formula C17H19F2N3O6 and a molecular weight of 399.35 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID55311241
Molecular FormulaC17H19F2N3O6
Molecular Weight399.35 g/mol
Exact Mass399.12
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2ccccc2OC(F)F)C1=O
InChIInChI=1S/C17H19F2N3O6/c1-3-17(2)14(25)22(16(26)21-17)8-13(24)27-9-12(23)20-10-6-4-5-7-11(10)28-15(18)19/h4-7,15H,3,8-9H2,1-2H3,(H,20,23)(H,21,26)
InChIKeyOGSTVGJSTOUHNY-UHFFFAOYSA-N
XLogP1.49
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793913
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 55311167
N-[2-(difluoromethoxy)phenyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804584
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7794003
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793907
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793351
[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8957701
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793359
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(4S)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 9486078
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793638
N-[2-(difluoromethoxy)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622460
ethyl 4-[[2-[2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]oxyacetyl]amino]benzoate
CID 7794040

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 55311241) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate is CCC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2ccccc2OC(F)F)C1=O.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is OGSTVGJSTOUHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O6/c1-3-17(2)14(25)22(16(26)21-17)8-13(24)27-9-12(23)20-10-6-4-5-7-11(10)28-15(18)19/h4-7,15H,3,8-9H2,1-2H3,(H,20,23)(H,21,26).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 399.35 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 55311241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).