[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate

C20H20F3NO3 — CID 2379220

IUPAC[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate
SMILESCC(C)c1ccccc1NC(=O)COC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3NO3/c1-13(2)16-8-3-4-9-17(16)24-18(25)12-27-19(26)11-14-6-5-7-15(10-14)20(21,22)23/h3-10,13H,11-12H2,1-2H3,(H,24,25)
InChIKeyDQIDKPNVGOPPNQ-UHFFFAOYSA-N
MW379.38 g/mol
LogP4.55
Rot. Bonds6

About [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate

[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate (PubChem CID 2379220) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate
PubChem CID2379220
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate
SMILESCC(C)c1ccccc1NC(=O)COC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3NO3/c1-13(2)16-8-3-4-9-17(16)24-18(25)12-27-19(26)11-14-6-5-7-15(10-14)20(21,22)23/h3-10,13H,11-12H2,1-2H3,(H,24,25)
InChIKeyDQIDKPNVGOPPNQ-UHFFFAOYSA-N
XLogP4.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-Oxo-2-(4-propan-2-ylanilino)ethyl] 2-cyclopentylacetate
CID 2343268
[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2380295
[2-(3-Fluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2425033
[2-Oxo-2-(4-propan-2-ylanilino)ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 4348741
[2-(2-Ethyl-6-methylanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 8233956
1-(4-Fluoroanilino)-1-oxopropan-2-yl cyclohexylacetate
CID 24979310
N-(2,6-Diisopropyl-phenyl)-2-phenyl-malonamic acid dodecyl ester
CID 10436278
[2-(2-Methylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 1690080
[2-(Naphthalen-1-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 2338108
[2-(3,5-Dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2432299
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573575
2-Phenylbutanoic acid [2-oxo-2-(2-phenylanilino)ethyl] ester
CID 4014963

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate (CID 2379220) is [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate is CC(C)c1ccccc1NC(=O)COC(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The InChIKey is DQIDKPNVGOPPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO3/c1-13(2)16-8-3-4-9-17(16)24-18(25)12-27-19(26)11-14-6-5-7-15(10-14)20(21,22)23/h3-10,13H,11-12H2,1-2H3,(H,24,25).
What are the key properties of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate has a molecular weight of 379.38 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 2379220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).