2-[[2-(4-ethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide

C20H21F3N2O4 — CID 9220516

IUPAC2-[[2-(4-ethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCCc1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C20H21F3N2O4/c1-3-14-4-8-16(9-5-14)28-13-19(27)25(2)12-18(26)24-15-6-10-17(11-7-15)29-20(21,22)23/h4-11H,3,12-13H2,1-2H3,(H,24,26)
InChIKeyRJXBILYFMUGQSS-UHFFFAOYSA-N
MW410.39 g/mol
LogP3.62
Rot. Bonds8

About 2-[[2-(4-ethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[[2-(4-ethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 9220516) has the molecular formula C20H21F3N2O4 and a molecular weight of 410.39 g/mol. Its IUPAC name is 2-[[2-(4-ethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-(4-ethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID9220516
Molecular FormulaC20H21F3N2O4
Molecular Weight410.39 g/mol
Exact Mass410.15
IUPAC Name2-[[2-(4-ethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCCc1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C20H21F3N2O4/c1-3-14-4-8-16(9-5-14)28-13-19(27)25(2)12-18(26)24-15-6-10-17(11-7-15)29-20(21,22)23/h4-11H,3,12-13H2,1-2H3,(H,24,26)
InChIKeyRJXBILYFMUGQSS-UHFFFAOYSA-N
XLogP3.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9220518
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate
CID 7844920
2-[[2-(2,3-dimethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8781642
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2-thiophen-3-ylacetamide
CID 9220607
N-(2-chlorophenyl)-2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetamide
CID 9409682
N-(4-methoxyphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9438276
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-ethylbenzoate
CID 7364756
N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide
CID 31390122
2-(4-methoxyphenoxy)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711310
N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]acetamide
CID 8781648
2-[4-(3-oxobutyl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7643070

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[[2-(4-ethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 9220516) is 2-[[2-(4-ethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[[2-(4-ethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[[2-(4-ethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide is CCc1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 2-[[2-(4-ethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is RJXBILYFMUGQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O4/c1-3-14-4-8-16(9-5-14)28-13-19(27)25(2)12-18(26)24-15-6-10-17(11-7-15)29-20(21,22)23/h4-11H,3,12-13H2,1-2H3,(H,24,26).
What are the key properties of 2-[[2-(4-ethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[[2-(4-ethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 410.39 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 9220516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).