5-hydroxy-1,3,3-trimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide

C17H22F3NO2 — CID 53345143

IUPAC5-hydroxy-1,3,3-trimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
SMILESCC1(C)CC(O)CC(C)(C(=O)Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H22F3NO2/c1-15(2)8-13(22)9-16(3,10-15)14(23)21-12-6-4-5-11(7-12)17(18,19)20/h4-7,13,22H,8-10H2,1-3H3,(H,21,23)
InChIKeySAUZQEFYNWKURG-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.22
Rot. Bonds2

About 5-hydroxy-1,3,3-trimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide

5-hydroxy-1,3,3-trimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 53345143) has the molecular formula C17H22F3NO2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-hydroxy-1,3,3-trimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-hydroxy-1,3,3-trimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
PubChem CID53345143
Molecular FormulaC17H22F3NO2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name5-hydroxy-1,3,3-trimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
SMILESCC1(C)CC(O)CC(C)(C(=O)Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H22F3NO2/c1-15(2)8-13(22)9-16(3,10-15)14(23)21-12-6-4-5-11(7-12)17(18,19)20/h4-7,13,22H,8-10H2,1-3H3,(H,21,23)
InChIKeySAUZQEFYNWKURG-UHFFFAOYSA-N
XLogP4.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,5R)-3,3,5-trimethyl-5-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 70681012
4-phenyl-N-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 687949
3-[(3,5-Dimethylphenyl)methyl]-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid
CID 2856969
3-[(4-Methylphenyl)methyl]-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid
CID 3687016
2-Benzyl-4-oxo-4-{[3-(trifluoromethyl)phenyl]amino}butanoic acid
CID 3745114
2-(3,5-Dimethylbenzyl)-3-methyl-4-oxo-4-{[3-(trifluoromethyl)phenyl]amino}butanoic acid
CID 6620609
9,9,9-trifluoro-8-hydroxy-N-(3-phenylphenyl)nonanamide
CID 44343045
3-[[(1R,5S)-5-hydroxy-1,3,3-trimethylcyclohexyl]methylamino]benzamide
CID 70683139
3,3,5-Trimethyl-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}cyclohexanecarboxylic acid
CID 3719380
(2S)-4,4,4-trifluoro-2-(2-hydroxyethyl)-N,2-diphenylbutanamide
CID 138964159
3-Benzyl-4-oxo-4-{[3-(trifluoromethyl)phenyl]amino}butanoic acid
CID 2909895
3-(3,5-Dimethylbenzyl)-2-methyl-4-oxo-4-{[3-(trifluoromethyl)phenyl]amino}butanoic acid
CID 3111413

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,3,3-trimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 5-hydroxy-1,3,3-trimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide (CID 53345143) is 5-hydroxy-1,3,3-trimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 5-hydroxy-1,3,3-trimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 5-hydroxy-1,3,3-trimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide is CC1(C)CC(O)CC(C)(C(=O)Nc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 5-hydroxy-1,3,3-trimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is SAUZQEFYNWKURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO2/c1-15(2)8-13(22)9-16(3,10-15)14(23)21-12-6-4-5-11(7-12)17(18,19)20/h4-7,13,22H,8-10H2,1-3H3,(H,21,23).
What are the key properties of 5-hydroxy-1,3,3-trimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
5-hydroxy-1,3,3-trimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,3,3-trimethyl-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 53345143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).