2-[[2-(2,5-dimethylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide

C16H21F3N2O3 — CID 86997222

IUPAC2-[[2-(2,5-dimethylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
SMILESCc1ccc(C)c(OCC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O3/c1-11-5-6-12(2)13(7-11)24-9-15(23)21(10-16(17,18)19)8-14(22)20(3)4/h5-7H,8-10H2,1-4H3
InChIKeyTZHNZWNKHCKTNL-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.16
Rot. Bonds6

About 2-[[2-(2,5-dimethylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide

2-[[2-(2,5-dimethylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide (PubChem CID 86997222) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-[[2-(2,5-dimethylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(2,5-dimethylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
PubChem CID86997222
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name2-[[2-(2,5-dimethylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
SMILESCc1ccc(C)c(OCC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O3/c1-11-5-6-12(2)13(7-11)24-9-15(23)21(10-16(17,18)19)8-14(22)20(3)4/h5-7H,8-10H2,1-4H3
InChIKeyTZHNZWNKHCKTNL-UHFFFAOYSA-N
XLogP2.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dimethylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-(2,5-dimethylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide (CID 86997222) is 2-[[2-(2,5-dimethylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(2,5-dimethylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(2,5-dimethylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide is Cc1ccc(C)c(OCC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c1.
What is the InChIKey of 2-[[2-(2,5-dimethylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
The InChIKey is TZHNZWNKHCKTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-11-5-6-12(2)13(7-11)24-9-15(23)21(10-16(17,18)19)8-14(22)20(3)4/h5-7H,8-10H2,1-4H3.
What are the key properties of 2-[[2-(2,5-dimethylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
2-[[2-(2,5-dimethylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide has a molecular weight of 346.35 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dimethylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 86997222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).