N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide

C13H16F3NO3 — CID 103208624

IUPACN-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCN(C(=O)COCC(F)(F)F)c1cc(O)ccc1C
InChIInChI=1S/C13H16F3NO3/c1-3-17(11-6-10(18)5-4-9(11)2)12(19)7-20-8-13(14,15)16/h4-6,18H,3,7-8H2,1-2H3
InChIKeyYJTOMJACZABIHF-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.63
Rot. Bonds5

About N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103208624) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103208624
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC NameN-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCN(C(=O)COCC(F)(F)F)c1cc(O)ccc1C
InChIInChI=1S/C13H16F3NO3/c1-3-17(11-6-10(18)5-4-9(11)2)12(19)7-20-8-13(14,15)16/h4-6,18H,3,7-8H2,1-2H3
InChIKeyYJTOMJACZABIHF-UHFFFAOYSA-N
XLogP2.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)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

4-(3-Hydroxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567552
7-Hydroxy-1,4-dimethyl-1,2-dihydroquinolin-2-one
CID 22151194
methyl 2-(3-hydroxy-N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
CID 76543038
3-(Diethylamino)-4-methylphenol
CID 20570319
1-Methyl-7-hydroxy-quinolinone
CID 129834453
2,2,2-Trifluoro-1-(6-hydroxy-2,3-dihydroindol-1-yl)ethanone
CID 10657132
2,2,2-trifluoro-N-(5-hydroxy-2-methylphenyl)acetamide
CID 23181762
1-[6-(Difluoromethoxy)-2,3-dihydroindol-1-yl]-2-hydroxyethanone
CID 53770424
3-[2-(Methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenol
CID 68450710
7-Hydroxy-1-(2-hydroxyethyl)-4-(trifluoromethyl)quinolin-2-one
CID 71036706
1-[2-(Dimethylamino)ethyl]-4-(trifluoromethyl)-7-hydroxyquinoline-2(1H)-one
CID 71036708
7-Hydroxy-1-(3-phenylpropyl)-4-(trifluoromethyl)quinolin-2-one
CID 71036711

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103208624) is N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide is CCN(C(=O)COCC(F)(F)F)c1cc(O)ccc1C.
What is the InChIKey of N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is YJTOMJACZABIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-3-17(11-6-10(18)5-4-9(11)2)12(19)7-20-8-13(14,15)16/h4-6,18H,3,7-8H2,1-2H3.
What are the key properties of N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 291.27 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103208624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).