[2-oxo-2-(1-phenylethylamino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate

C19H18F3NO3 — CID 3662612

IUPAC[2-oxo-2-(1-phenylethylamino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate
SMILESCC(NC(=O)COC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C19H18F3NO3/c1-13(15-7-3-2-4-8-15)23-17(24)12-26-18(25)11-14-6-5-9-16(10-14)19(20,21)22/h2-10,13H,11-12H2,1H3,(H,23,24)
InChIKeyJAASEHOJEGWCGS-UHFFFAOYSA-N
MW365.35 g/mol
LogP3.67
Rot. Bonds6

About [2-oxo-2-(1-phenylethylamino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate

[2-oxo-2-(1-phenylethylamino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate (PubChem CID 3662612) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylethylamino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylethylamino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate
PubChem CID3662612
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name[2-oxo-2-(1-phenylethylamino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate
SMILESCC(NC(=O)COC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C19H18F3NO3/c1-13(15-7-3-2-4-8-15)23-17(24)12-26-18(25)11-14-6-5-9-16(10-14)19(20,21)22/h2-10,13H,11-12H2,1H3,(H,23,24)
InChIKeyJAASEHOJEGWCGS-UHFFFAOYSA-N
XLogP3.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dapt
CID 5311272
(S)-ethyl 3-(4,4-difluorocyclohexanecarboxamido)-3-phenylpropanoate
CID 10131981
[2-Oxo-2-(1-phenylethylamino)ethyl] cyclohexanecarboxylate
CID 4395063
[2-Oxo-2-(1-phenylethylamino)ethyl] 3,4-dimethylbenzoate
CID 4802847
2-(Cyclohexylamino)-2-oxoethyl (4-fluorophenyl)acetate
CID 7759347
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenyl)acetate
CID 8661334
Tert-butyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]-2-phenyl-acetate
CID 2956
[2-(Cyclopropylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 2344633
[2-(Benzylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2365335
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2427732
[2-(2-fluorophenyl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2429922
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2488999

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate (CID 3662612) is [2-oxo-2-(1-phenylethylamino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for [2-oxo-2-(1-phenylethylamino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for [2-oxo-2-(1-phenylethylamino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate is CC(NC(=O)COC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(1-phenylethylamino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The InChIKey is JAASEHOJEGWCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c1-13(15-7-3-2-4-8-15)23-17(24)12-26-18(25)11-14-6-5-9-16(10-14)19(20,21)22/h2-10,13H,11-12H2,1H3,(H,23,24).
What are the key properties of [2-oxo-2-(1-phenylethylamino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
[2-oxo-2-(1-phenylethylamino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate has a molecular weight of 365.35 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1-phenylethylamino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 3662612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).