2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide

C15H20F3NO2 — CID 78759978

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C15H20F3NO2/c1-9(2)12-6-5-10(3)7-13(12)21-11(4)14(20)19-8-15(16,17)18/h5-7,9,11H,8H2,1-4H3,(H,19,20)
InChIKeyHLRFXYXOSNBHCC-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.56
Rot. Bonds5

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide

2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78759978) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78759978
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C15H20F3NO2/c1-9(2)12-6-5-10(3)7-13(12)21-11(4)14(20)19-8-15(16,17)18/h5-7,9,11H,8H2,1-4H3,(H,19,20)
InChIKeyHLRFXYXOSNBHCC-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide
CID 134038041
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 78759979
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 94180255
N-[2-(4-methylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133265071
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62571036
N-[(4-chlorophenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133235431
(2R)-N-[(2R)-3-methylbutan-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100572381
N-[2-(4-tert-butylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133185590
N-[2-(4-methoxyphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133234660
N-[(2-ethoxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133201955
2-(5-methyl-2-propan-2-ylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
CID 133202318
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133186748

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide (CID 78759978) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide is Cc1ccc(C(C)C)c(OC(C)C(=O)NCC(F)(F)F)c1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is HLRFXYXOSNBHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-9(2)12-6-5-10(3)7-13(12)21-11(4)14(20)19-8-15(16,17)18/h5-7,9,11H,8H2,1-4H3,(H,19,20).
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide?
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 303.32 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78759978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).