2-(4-tert-butylphenyl)-2-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

C16H20F3NO3 — CID 86846512

IUPAC2-(4-tert-butylphenyl)-2-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESCC(C)(C)c1ccc(C(=O)C(=O)NCCOCC(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO3/c1-15(2,3)12-6-4-11(5-7-12)13(21)14(22)20-8-9-23-10-16(17,18)19/h4-7H,8-10H2,1-3H3,(H,20,22)
InChIKeyXDNGVTIMUJCHIZ-UHFFFAOYSA-N
MW331.33 g/mol
LogP2.86
Rot. Bonds6

About 2-(4-tert-butylphenyl)-2-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

2-(4-tert-butylphenyl)-2-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (PubChem CID 86846512) has the molecular formula C16H20F3NO3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
PubChem CID86846512
Molecular FormulaC16H20F3NO3
Molecular Weight331.33 g/mol
Exact Mass331.14
IUPAC Name2-(4-tert-butylphenyl)-2-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESCC(C)(C)c1ccc(C(=O)C(=O)NCCOCC(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO3/c1-15(2,3)12-6-4-11(5-7-12)13(21)14(22)20-8-9-23-10-16(17,18)19/h4-7H,8-10H2,1-3H3,(H,20,22)
InChIKeyXDNGVTIMUJCHIZ-UHFFFAOYSA-N
XLogP2.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61492242
4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 63827528
N,N-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxamide
CID 78956359
2,6-dihydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 103890229
1-(4-tert-butylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63827300
3-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]benzoic acid
CID 63828854
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134028875
6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
CID 66462180
3-tert-butyl-1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide
CID 87012608
1-tert-butyl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
CID 64765867
2-amino-2-(4-methylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 106151234
2-oxo-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 154260012

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenyl)-2-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (CID 86846512) is 2-(4-tert-butylphenyl)-2-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-2-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is CC(C)(C)c1ccc(C(=O)C(=O)NCCOCC(F)(F)F)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The InChIKey is XDNGVTIMUJCHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO3/c1-15(2,3)12-6-4-11(5-7-12)13(21)14(22)20-8-9-23-10-16(17,18)19/h4-7H,8-10H2,1-3H3,(H,20,22).
What are the key properties of 2-(4-tert-butylphenyl)-2-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
2-(4-tert-butylphenyl)-2-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide has a molecular weight of 331.33 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-2-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is sourced from PubChem (CID 86846512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).