[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

C18H20F3N3O5 — CID 2568750

IUPAC[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C18H20F3N3O5/c1-3-17(4-2)15(27)24(16(28)23-17)9-14(26)29-10-13(25)22-12-7-5-11(6-8-12)18(19,20)21/h5-8H,3-4,9-10H2,1-2H3,(H,22,25)(H,23,28)
InChIKeyDSJPZGLFJLNLSH-UHFFFAOYSA-N
MW415.37 g/mol
LogP2.30
Rot. Bonds7

About [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 2568750) has the molecular formula C18H20F3N3O5 and a molecular weight of 415.37 g/mol. Its IUPAC name is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID2568750
Molecular FormulaC18H20F3N3O5
Molecular Weight415.37 g/mol
Exact Mass415.14
IUPAC Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C18H20F3N3O5/c1-3-17(4-2)15(27)24(16(28)23-17)9-14(26)29-10-13(25)22-12-7-5-11(6-8-12)18(19,20)21/h5-8H,3-4,9-10H2,1-2H3,(H,22,25)(H,23,28)
InChIKeyDSJPZGLFJLNLSH-UHFFFAOYSA-N
XLogP2.30
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methylphenyl)amino]-2-oxoethyl 3-(2-oxo-2,3-dihydro-1H-imidazol-4-yl)propanoate
CID 753474
N-(3-fluoro-4-methylphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4694377
2-[(4~{R})-4-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-(trifluoromethyl)phenyl]ethanamide
CID 8092415
Ethyl N-{[4-(Acetylamino)benzyl]carbamoyl}glycinate
CID 81689780
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2113130
Ethyl [3-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetate
CID 2228401
[2-Oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7822115
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 24981964
2-(2,4-Dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 2420824
[2-(2,5-Difluoroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 8898613
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-methylphenyl)butanamide
CID 9502277
N-ethyl-2-[3-(2-methoxyethyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 16009058

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 2568750) is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is DSJPZGLFJLNLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O5/c1-3-17(4-2)15(27)24(16(28)23-17)9-14(26)29-10-13(25)22-12-7-5-11(6-8-12)18(19,20)21/h5-8H,3-4,9-10H2,1-2H3,(H,22,25)(H,23,28).
What are the key properties of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 415.37 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 2568750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).