2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

C23H28F3N3O4 — CID 24566060

IUPAC2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CN(CC)CC(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C23H28F3N3O4/c1-4-29(14-21(30)27-18-10-8-7-9-17(18)23(24,25)26)15-22(31)28-19-13-16(32-5-2)11-12-20(19)33-6-3/h7-13H,4-6,14-15H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyFAIGCRNEALGWDL-UHFFFAOYSA-N
MW467.49 g/mol
LogP4.40
Rot. Bonds11

About 2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 24566060) has the molecular formula C23H28F3N3O4 and a molecular weight of 467.49 g/mol. Its IUPAC name is 2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID24566060
Molecular FormulaC23H28F3N3O4
Molecular Weight467.49 g/mol
Exact Mass467.20
IUPAC Name2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CN(CC)CC(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C23H28F3N3O4/c1-4-29(14-21(30)27-18-10-8-7-9-17(18)23(24,25)26)15-22(31)28-19-13-16(32-5-2)11-12-20(19)33-6-3/h7-13H,4-6,14-15H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyFAIGCRNEALGWDL-UHFFFAOYSA-N
XLogP4.40
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286510
2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 40710223
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9030983
3-(4-ethoxyphenoxy)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 24983106
3,4,5-triethoxy-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26356957
N-(4-acetamidophenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 27199750
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9030856
3-(2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109039806
N-(2-bromophenyl)-2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 24681253
2-[[4-ethoxy-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 60589161
N-(4-ethoxyphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 112798501
2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 37496925

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 24566060) is 2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is CCOc1ccc(OCC)c(NC(=O)CN(CC)CC(=O)Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FAIGCRNEALGWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O4/c1-4-29(14-21(30)27-18-10-8-7-9-17(18)23(24,25)26)15-22(31)28-19-13-16(32-5-2)11-12-20(19)33-6-3/h7-13H,4-6,14-15H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of 2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 467.49 g/mol, XLogP of 4.40, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 24566060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).