2-methoxy-N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide

C13H16F3NO2 — CID 138980687

IUPAC2-methoxy-N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide
SMILESCOCC(=O)NC(CC(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C13H16F3NO2/c1-9-3-5-10(6-4-9)11(7-13(14,15)16)17-12(18)8-19-2/h3-6,11H,7-8H2,1-2H3,(H,17,18)
InChIKeyOYOLOTYNDLLCIG-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.75
Rot. Bonds5

About 2-methoxy-N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide

2-methoxy-N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide (PubChem CID 138980687) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-methoxy-N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide
PubChem CID138980687
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-methoxy-N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide
SMILESCOCC(=O)NC(CC(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C13H16F3NO2/c1-9-3-5-10(6-4-9)11(7-13(14,15)16)17-12(18)8-19-2/h3-6,11H,7-8H2,1-2H3,(H,17,18)
InChIKeyOYOLOTYNDLLCIG-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of 2-methoxy-N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide (CID 138980687) is 2-methoxy-N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-methoxy-N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide is COCC(=O)NC(CC(F)(F)F)c1ccc(C)cc1.
What is the InChIKey of 2-methoxy-N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide?
The InChIKey is OYOLOTYNDLLCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-9-3-5-10(6-4-9)11(7-13(14,15)16)17-12(18)8-19-2/h3-6,11H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-methoxy-N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide?
2-methoxy-N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide has a molecular weight of 275.27 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 138980687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).