N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide

C22H25F3N2O3 — CID 7892006

IUPACN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(C)c1
InChIInChI=1S/C22H25F3N2O3/c1-14-10-15(2)21(16(3)11-14)30-13-20(28)26-18-12-17(22(23,24)25)4-5-19(18)27-6-8-29-9-7-27/h4-5,10-12H,6-9,13H2,1-3H3,(H,26,28)
InChIKeyXLJLCEDKAYKZOP-UHFFFAOYSA-N
MW422.45 g/mol
LogP4.48
Rot. Bonds5

About N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide (PubChem CID 7892006) has the molecular formula C22H25F3N2O3 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
PubChem CID7892006
Molecular FormulaC22H25F3N2O3
Molecular Weight422.45 g/mol
Exact Mass422.18
IUPAC NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(C)c1
InChIInChI=1S/C22H25F3N2O3/c1-14-10-15(2)21(16(3)11-14)30-13-20(28)26-18-12-17(22(23,24)25)4-5-19(18)27-6-8-29-9-7-27/h4-5,10-12H,6-9,13H2,1-3H3,(H,26,28)
InChIKeyXLJLCEDKAYKZOP-UHFFFAOYSA-N
XLogP4.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2161692
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17117721
2-(4-ethoxyphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16546340
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 1079166
2-(4-fluorophenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7892012
2-(4-ethylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3921183
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 7669566
2-(3-fluorophenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7551397
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 2487812
2-(2-methoxy-5-methylphenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 27667879
N-(2,5-dimethylphenyl)-2-[methyl-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]amino]acetamide
CID 4818630
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phthalazin-1-yloxyacetamide
CID 2548899

Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide?
The IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide (CID 7892006) is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(C)c1.
What is the InChIKey of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide?
The InChIKey is XLJLCEDKAYKZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O3/c1-14-10-15(2)21(16(3)11-14)30-13-20(28)26-18-12-17(22(23,24)25)4-5-19(18)27-6-8-29-9-7-27/h4-5,10-12H,6-9,13H2,1-3H3,(H,26,28).
What are the key properties of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide?
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide has a molecular weight of 422.45 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 7892006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).