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
SMILESCCOC1=CC=C(C=C1)CC(=O)N(CC(C)(C)C)CC(F)(F)F
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
MW331.40 g/mol
LogP4.50
Rot. Bonds7

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 331.40 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 Weight331.40 g/mol
Exact Mass331.18
IUPAC NameN-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOC1=CC=C(C=C1)CC(=O)N(CC(C)(C)C)CC(F)(F)F
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
XLogP4.50
TPSA29.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity369

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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 CCOC1=CC=C(C=C1)CC(=O)N(CC(C)(C)C)CC(F)(F)F.
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 331.40 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 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).