N-[4-cyano-2-methyl-3-(trifluoromethyl)phenyl]-2-methoxy-2-methylbutanamide

C15H17F3N2O2 — CID 155713592

IUPACN-[4-cyano-2-methyl-3-(trifluoromethyl)phenyl]-2-methoxy-2-methylbutanamide
SMILESCCC(C)(OC)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1C
InChIInChI=1S/C15H17F3N2O2/c1-5-14(3,22-4)13(21)20-11-7-6-10(8-19)12(9(11)2)15(16,17)18/h6-7H,5H2,1-4H3,(H,20,21)
InChIKeyPHDSYPUDXJIDBR-UHFFFAOYSA-N
MW314.31 g/mol
LogP3.64
Rot. Bonds4

About N-[4-cyano-2-methyl-3-(trifluoromethyl)phenyl]-2-methoxy-2-methylbutanamide

N-[4-cyano-2-methyl-3-(trifluoromethyl)phenyl]-2-methoxy-2-methylbutanamide (PubChem CID 155713592) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is N-[4-cyano-2-methyl-3-(trifluoromethyl)phenyl]-2-methoxy-2-methylbutanamide.

Molecular Properties

Compound NameN-[4-cyano-2-methyl-3-(trifluoromethyl)phenyl]-2-methoxy-2-methylbutanamide
PubChem CID155713592
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC NameN-[4-cyano-2-methyl-3-(trifluoromethyl)phenyl]-2-methoxy-2-methylbutanamide
SMILESCCC(C)(OC)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1C
InChIInChI=1S/C15H17F3N2O2/c1-5-14(3,22-4)13(21)20-11-7-6-10(8-19)12(9(11)2)15(16,17)18/h6-7H,5H2,1-4H3,(H,20,21)
InChIKeyPHDSYPUDXJIDBR-UHFFFAOYSA-N
XLogP3.64
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(propylamino)-2-(trifluoromethyl)benzonitrile
CID 143851347
(2R)-N-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide
CID 100752811
(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 100752858
2-[4-cyano-2-methyl-3-(trifluoromethyl)anilino]-3-hydroxypropanoic acid
CID 66980985
N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-methylbutanamide
CID 114105647
N-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide
CID 133229996
(2R)-N-(2-cyano-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100753360
N-(4-amino-2,5-dimethylphenyl)-2-methoxy-2-methylbutanamide
CID 114105109
N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylbutanamide
CID 114105016
N-(4-butan-2-yloxy-2-cyanophenyl)-2-methoxy-2-methylhexanamide
CID 133229825
4-(cyclopentanecarbonyl)-3-methyl-2-(trifluoromethyl)benzonitrile
CID 138110966
methyl 4-cyano-2-nitro-3-(trifluoromethyl)benzoate
CID 134648111

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-2-methyl-3-(trifluoromethyl)phenyl]-2-methoxy-2-methylbutanamide?
The IUPAC name of N-[4-cyano-2-methyl-3-(trifluoromethyl)phenyl]-2-methoxy-2-methylbutanamide (CID 155713592) is N-[4-cyano-2-methyl-3-(trifluoromethyl)phenyl]-2-methoxy-2-methylbutanamide.
What is the SMILES notation for N-[4-cyano-2-methyl-3-(trifluoromethyl)phenyl]-2-methoxy-2-methylbutanamide?
The canonical SMILES for N-[4-cyano-2-methyl-3-(trifluoromethyl)phenyl]-2-methoxy-2-methylbutanamide is CCC(C)(OC)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1C.
What is the InChIKey of N-[4-cyano-2-methyl-3-(trifluoromethyl)phenyl]-2-methoxy-2-methylbutanamide?
The InChIKey is PHDSYPUDXJIDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-5-14(3,22-4)13(21)20-11-7-6-10(8-19)12(9(11)2)15(16,17)18/h6-7H,5H2,1-4H3,(H,20,21).
What are the key properties of N-[4-cyano-2-methyl-3-(trifluoromethyl)phenyl]-2-methoxy-2-methylbutanamide?
N-[4-cyano-2-methyl-3-(trifluoromethyl)phenyl]-2-methoxy-2-methylbutanamide has a molecular weight of 314.31 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-2-methyl-3-(trifluoromethyl)phenyl]-2-methoxy-2-methylbutanamide is sourced from PubChem (CID 155713592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).