N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide

C14H18F3NO2 — CID 100750932

IUPACN-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
SMILESCCOc1ccc(NC(=O)C(C)(C)C)cc1C(F)(F)F
InChIInChI=1S/C14H18F3NO2/c1-5-20-11-7-6-9(8-10(11)14(15,16)17)18-12(19)13(2,3)4/h6-8H,5H2,1-4H3,(H,18,19)
InChIKeyZQKZPACKASKAQB-UHFFFAOYSA-N
MW289.30 g/mol
LogP4.09
Rot. Bonds3

About N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide

N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 100750932) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
PubChem CID100750932
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC NameN-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
SMILESCCOc1ccc(NC(=O)C(C)(C)C)cc1C(F)(F)F
InChIInChI=1S/C14H18F3NO2/c1-5-20-11-7-6-9(8-10(11)14(15,16)17)18-12(19)13(2,3)4/h6-8H,5H2,1-4H3,(H,18,19)
InChIKeyZQKZPACKASKAQB-UHFFFAOYSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide
CID 100763997
2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide
CID 133230010
(2S)-2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methylheptanamide
CID 100761098
(2R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxyheptanamide
CID 100766204
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 52774182
1-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[2-(methylsulfamoyl)ethyl]urea
CID 118777029
(2S)-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpentanamide
CID 100759967
2-cyclopropyl-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]propanamide
CID 133203979
N-(3,4-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731975
methyl 2-ethoxy-5-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 100750375
N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylpropanamide
CID 100784401
N-(3-cyano-4-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 100750476

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide (CID 100750932) is N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is CCOc1ccc(NC(=O)C(C)(C)C)cc1C(F)(F)F.
What is the InChIKey of N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is ZQKZPACKASKAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-5-20-11-7-6-9(8-10(11)14(15,16)17)18-12(19)13(2,3)4/h6-8H,5H2,1-4H3,(H,18,19).
What are the key properties of N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 289.30 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 100750932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).