2,2,2-trifluoro-N-[2-(2-methoxy-3-methyl-6-propan-2-ylphenyl)ethyl]acetamide

C15H20F3NO2 — CID 87974113

IUPAC2,2,2-trifluoro-N-[2-(2-methoxy-3-methyl-6-propan-2-ylphenyl)ethyl]acetamide
SMILESCOc1c(C)ccc(C(C)C)c1CCNC(=O)C(F)(F)F
InChIInChI=1S/C15H20F3NO2/c1-9(2)11-6-5-10(3)13(21-4)12(11)7-8-19-14(20)15(16,17)18/h5-6,9H,7-8H2,1-4H3,(H,19,20)
InChIKeyPXKOLNCJXDTXJF-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.35
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-(2-methoxy-3-methyl-6-propan-2-ylphenyl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(2-methoxy-3-methyl-6-propan-2-ylphenyl)ethyl]acetamide (PubChem CID 87974113) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-methoxy-3-methyl-6-propan-2-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-methoxy-3-methyl-6-propan-2-ylphenyl)ethyl]acetamide
PubChem CID87974113
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name2,2,2-trifluoro-N-[2-(2-methoxy-3-methyl-6-propan-2-ylphenyl)ethyl]acetamide
SMILESCOc1c(C)ccc(C(C)C)c1CCNC(=O)C(F)(F)F
InChIInChI=1S/C15H20F3NO2/c1-9(2)11-6-5-10(3)13(21-4)12(11)7-8-19-14(20)15(16,17)18/h5-6,9H,7-8H2,1-4H3,(H,19,20)
InChIKeyPXKOLNCJXDTXJF-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(2-methoxy-3-methyl-6-propan-2-ylphenyl)propanoic acid
CID 117381633
2,2,2-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]acetamide
CID 11779359
2,2,2-trifluoro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 110443234
methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate
CID 117353034
2,2,2-trifluoro-N-(3-methoxy-2,4-dimethylphenyl)acetamide
CID 62726523
2,2,2-trifluoro-N-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenoxy]ethyl]acetamide
CID 91358246
1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-one
CID 117374493
2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]acetamide
CID 22292772
2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide
CID 2933838
4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537590
2,2,2-trifluoro-N-[2-(1-hydroxy-5-methoxyindol-3-yl)ethyl]acetamide
CID 101098567
N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide
CID 14566888

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(2-methoxy-3-methyl-6-propan-2-ylphenyl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-methoxy-3-methyl-6-propan-2-ylphenyl)ethyl]acetamide (CID 87974113) is 2,2,2-trifluoro-N-[2-(2-methoxy-3-methyl-6-propan-2-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-methoxy-3-methyl-6-propan-2-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-methoxy-3-methyl-6-propan-2-ylphenyl)ethyl]acetamide is COc1c(C)ccc(C(C)C)c1CCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-methoxy-3-methyl-6-propan-2-ylphenyl)ethyl]acetamide?
The InChIKey is PXKOLNCJXDTXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-9(2)11-6-5-10(3)13(21-4)12(11)7-8-19-14(20)15(16,17)18/h5-6,9H,7-8H2,1-4H3,(H,19,20).
What are the key properties of 2,2,2-trifluoro-N-[2-(2-methoxy-3-methyl-6-propan-2-ylphenyl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(2-methoxy-3-methyl-6-propan-2-ylphenyl)ethyl]acetamide has a molecular weight of 303.32 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(2-methoxy-3-methyl-6-propan-2-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 87974113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).