N-(2-cyano-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide

C15H17F3N2O2 — CID 4828464

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCC(C)C(C)(C#N)NC(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2O2/c1-10(2)14(3,9-19)20-13(21)8-22-12-6-4-11(5-7-12)15(16,17)18/h4-7,10H,8H2,1-3H3,(H,20,21)
InChIKeyULYQZXMBRHGDLS-UHFFFAOYSA-N
MW314.31 g/mol
LogP3.14
Rot. Bonds5

About N-(2-cyano-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide

N-(2-cyano-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 4828464) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID4828464
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCC(C)C(C)(C#N)NC(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2O2/c1-10(2)14(3,9-19)20-13(21)8-22-12-6-4-11(5-7-12)15(16,17)18/h4-7,10H,8H2,1-3H3,(H,20,21)
InChIKeyULYQZXMBRHGDLS-UHFFFAOYSA-N
XLogP3.14
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide
CID 78547582
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(methylamino)phenoxy]acetamide
CID 61026918
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966668
2-[4-(aminomethyl)phenoxy]-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 106484798
4-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide
CID 7931335
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide
CID 8604749
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880424
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140979
2-(3-bromophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7818301
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 42974356
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-tert-butylbenzoate
CID 2650971
2-(4-butoxyphenyl)-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 15457237

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 4828464) is N-(2-cyano-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide is CC(C)C(C)(C#N)NC(=O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is ULYQZXMBRHGDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-10(2)14(3,9-19)20-13(21)8-22-12-6-4-11(5-7-12)15(16,17)18/h4-7,10H,8H2,1-3H3,(H,20,21).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 314.31 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 4828464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).