2-[4-(2-hydroxyethoxy)-2-(trifluoromethyl)anilino]-N-(2-methylbutan-2-yl)acetamide

C16H23F3N2O3 — CID 111111172

IUPAC2-[4-(2-hydroxyethoxy)-2-(trifluoromethyl)anilino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNc1ccc(OCCO)cc1C(F)(F)F
InChIInChI=1S/C16H23F3N2O3/c1-4-15(2,3)21-14(23)10-20-13-6-5-11(24-8-7-22)9-12(13)16(17,18)19/h5-6,9,20,22H,4,7-8,10H2,1-3H3,(H,21,23)
InChIKeyYHRAPQJEJAVXCM-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.79
Rot. Bonds8

About 2-[4-(2-hydroxyethoxy)-2-(trifluoromethyl)anilino]-N-(2-methylbutan-2-yl)acetamide

2-[4-(2-hydroxyethoxy)-2-(trifluoromethyl)anilino]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 111111172) has the molecular formula C16H23F3N2O3 and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethoxy)-2-(trifluoromethyl)anilino]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethoxy)-2-(trifluoromethyl)anilino]-N-(2-methylbutan-2-yl)acetamide
PubChem CID111111172
Molecular FormulaC16H23F3N2O3
Molecular Weight348.37 g/mol
Exact Mass348.17
IUPAC Name2-[4-(2-hydroxyethoxy)-2-(trifluoromethyl)anilino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNc1ccc(OCCO)cc1C(F)(F)F
InChIInChI=1S/C16H23F3N2O3/c1-4-15(2,3)21-14(23)10-20-13-6-5-11(24-8-7-22)9-12(13)16(17,18)19/h5-6,9,20,22H,4,7-8,10H2,1-3H3,(H,21,23)
InChIKeyYHRAPQJEJAVXCM-UHFFFAOYSA-N
XLogP2.79
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(2-methylbutan-2-yl)acetamide
CID 32915177
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-(trifluoromethyl)phenoxy]ethanol
CID 110930883
N-(2-methylbutan-2-yl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 36555062
2-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
CID 61487652
2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 47001155
2-(2-bromoanilino)-N-(2-methylbutan-2-yl)acetamide
CID 51252444
4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzonitrile
CID 43138569
2-(3-fluoro-4-methylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 60672268
1-cyclopropyl-3-[4-ethoxy-2-(trifluoromethyl)phenyl]urea
CID 47420595
4-hydroxy-N-[4-methoxy-2-(trifluoromethyl)phenyl]butanamide
CID 79200697
2-(4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide
CID 60671142
N-(2-methylbutan-2-yl)-4-phenoxybutanamide
CID 17372829

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethoxy)-2-(trifluoromethyl)anilino]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[4-(2-hydroxyethoxy)-2-(trifluoromethyl)anilino]-N-(2-methylbutan-2-yl)acetamide (CID 111111172) is 2-[4-(2-hydroxyethoxy)-2-(trifluoromethyl)anilino]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2-hydroxyethoxy)-2-(trifluoromethyl)anilino]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[4-(2-hydroxyethoxy)-2-(trifluoromethyl)anilino]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CNc1ccc(OCCO)cc1C(F)(F)F.
What is the InChIKey of 2-[4-(2-hydroxyethoxy)-2-(trifluoromethyl)anilino]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is YHRAPQJEJAVXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O3/c1-4-15(2,3)21-14(23)10-20-13-6-5-11(24-8-7-22)9-12(13)16(17,18)19/h5-6,9,20,22H,4,7-8,10H2,1-3H3,(H,21,23).
What are the key properties of 2-[4-(2-hydroxyethoxy)-2-(trifluoromethyl)anilino]-N-(2-methylbutan-2-yl)acetamide?
2-[4-(2-hydroxyethoxy)-2-(trifluoromethyl)anilino]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 348.37 g/mol, XLogP of 2.79, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethoxy)-2-(trifluoromethyl)anilino]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 111111172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).