N-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide

C17H24F3NO2 — CID 56531117

IUPACN-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOc1ccc(CC(=O)N(CC(C)(C)C)CC(F)(F)F)cc1
InChIInChI=1S/C17H24F3NO2/c1-5-23-14-8-6-13(7-9-14)10-15(22)21(11-16(2,3)4)12-17(18,19)20/h6-9H,5,10-12H2,1-4H3
InChIKeyVKCIGZPRECBWMM-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.06
Rot. Bonds6

About N-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide

N-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 56531117) has the molecular formula C17H24F3NO2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID56531117
Molecular FormulaC17H24F3NO2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC NameN-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOc1ccc(CC(=O)N(CC(C)(C)C)CC(F)(F)F)cc1
InChIInChI=1S/C17H24F3NO2/c1-5-23-14-8-6-13(7-9-14)10-15(22)21(11-16(2,3)4)12-17(18,19)20/h6-9H,5,10-12H2,1-4H3
InChIKeyVKCIGZPRECBWMM-UHFFFAOYSA-N
XLogP4.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 111596763
N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78858653
2-(4-ethoxyphenyl)-N-methylacetohydrazide
CID 116844790
N-(2,2-dimethylpropyl)-2-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 56531141
2-(4-ethoxyphenyl)-N-(2-hydroxyethyl)-N-methylacetamide
CID 60652463
2-[4-(aminomethyl)phenyl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 63589444
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 56531190
N-[(4-ethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115257940
2-[[2-(4-ethoxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 61261354
2-[[2-(4-methylphenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257969
4-(4-ethoxyphenyl)-1,1,1-trifluorobutan-2-one
CID 59202399
2-[4-(cyanomethoxy)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 111596351

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 56531117) is N-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide is CCOc1ccc(CC(=O)N(CC(C)(C)C)CC(F)(F)F)cc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VKCIGZPRECBWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO2/c1-5-23-14-8-6-13(7-9-14)10-15(22)21(11-16(2,3)4)12-17(18,19)20/h6-9H,5,10-12H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
N-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 331.38 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 56531117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).