2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide

C22H26F3NO3 — CID 134249287

IUPAC2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(OCC(=O)NCC(F)(F)F)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C22H26F3NO3/c1-13(2)18-9-16(5-6-20(18)27)10-19-14(3)7-17(8-15(19)4)29-11-21(28)26-12-22(23,24)25/h5-9,13,27H,10-12H2,1-4H3,(H,26,28)
InChIKeyBGQZZZJHWSXNAZ-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.78
Rot. Bonds7

About 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 134249287) has the molecular formula C22H26F3NO3 and a molecular weight of 409.45 g/mol. Its IUPAC name is 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID134249287
Molecular FormulaC22H26F3NO3
Molecular Weight409.45 g/mol
Exact Mass409.19
IUPAC Name2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(OCC(=O)NCC(F)(F)F)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C22H26F3NO3/c1-13(2)18-9-16(5-6-20(18)27)10-19-14(3)7-17(8-15(19)4)29-11-21(28)26-12-22(23,24)25/h5-9,13,27H,10-12H2,1-4H3,(H,26,28)
InChIKeyBGQZZZJHWSXNAZ-UHFFFAOYSA-N
XLogP4.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-[2-(7-propan-2-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide
CID 53237949
N-isopropyl-2-(naphthalen-1-yloxy)acetamide
CID 3661886
2-(2,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2177231
N-ethyl-2-(naphthalen-1-yloxy)acetamide
CID 2504498
N-ethyl-2-(4-phenylphenoxy)acetamide
CID 2550541
N-[2-(2-ethoxynaphthalen-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 44377364
N-[2-[7-(2,2,2-trifluoroethoxy)naphthalen-1-yl]ethyl]acetamide
CID 57381768
2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N,N-dimethylacetamide
CID 155534195
2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N-methylacetamide
CID 155546145
N-allyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 1566867
N-allyl-2-(2,3,5-trimethylphenoxy)acetamide
CID 2182758
Sob-AM2
CID 134249304

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide (CID 134249287) is 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide is Cc1cc(OCC(=O)NCC(F)(F)F)cc(C)c1Cc1ccc(O)c(C(C)C)c1.
What is the InChIKey of 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BGQZZZJHWSXNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3NO3/c1-13(2)18-9-16(5-6-20(18)27)10-19-14(3)7-17(8-15(19)4)29-11-21(28)26-12-22(23,24)25/h5-9,13,27H,10-12H2,1-4H3,(H,26,28).
What are the key properties of 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 409.45 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 134249287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).