N-(2-hydroxy-2,5-dimethylhexyl)-4-(1,2,4-triazol-4-yl)benzamide

C17H24N4O2 — CID 111485349

IUPACN-(2-hydroxy-2,5-dimethylhexyl)-4-(1,2,4-triazol-4-yl)benzamide
SMILESCC(C)CCC(C)(O)CNC(=O)c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C17H24N4O2/c1-13(2)8-9-17(3,23)10-18-16(22)14-4-6-15(7-5-14)21-11-19-20-12-21/h4-7,11-13,23H,8-10H2,1-3H3,(H,18,22)
InChIKeyLCZKZCZIZMZNQM-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.18
Rot. Bonds7

About N-(2-hydroxy-2,5-dimethylhexyl)-4-(1,2,4-triazol-4-yl)benzamide

N-(2-hydroxy-2,5-dimethylhexyl)-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 111485349) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-(2-hydroxy-2,5-dimethylhexyl)-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,5-dimethylhexyl)-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID111485349
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-(2-hydroxy-2,5-dimethylhexyl)-4-(1,2,4-triazol-4-yl)benzamide
SMILESCC(C)CCC(C)(O)CNC(=O)c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C17H24N4O2/c1-13(2)8-9-17(3,23)10-18-16(22)14-4-6-15(7-5-14)21-11-19-20-12-21/h4-7,11-13,23H,8-10H2,1-3H3,(H,18,22)
InChIKeyLCZKZCZIZMZNQM-UHFFFAOYSA-N
XLogP2.18
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxybutyl)-4-(1,2,4-triazol-4-yl)benzamide
CID 111433796
N-(2-hydroxy-2,5-dimethylhexyl)-3-(1,2,4-triazol-1-yl)benzamide
CID 111485159
N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide
CID 111485327
N-(2-hydroxy-2,5-dimethylhexyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111485259
3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 110025600
N-(2-hydroxy-2,5-dimethylhexyl)pyridine-2-carboxamide
CID 111485413
N-(2-hydroxy-2,5-dimethylhexyl)-1-oxidopyridin-1-ium-3-carboxamide
CID 111485416
3-(dimethylamino)-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 111485472
2-ethyl-N-(2-hydroxy-2,5-dimethylhexyl)-5-methylpyrazole-3-carboxamide
CID 111485478
N-(2-hydroxy-2,5-dimethylhexyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111485199
5-[(2-hydroxy-2,5-dimethylhexyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685725
2-cyano-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 111825762

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,5-dimethylhexyl)-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-(2-hydroxy-2,5-dimethylhexyl)-4-(1,2,4-triazol-4-yl)benzamide (CID 111485349) is N-(2-hydroxy-2,5-dimethylhexyl)-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-(2-hydroxy-2,5-dimethylhexyl)-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-(2-hydroxy-2,5-dimethylhexyl)-4-(1,2,4-triazol-4-yl)benzamide is CC(C)CCC(C)(O)CNC(=O)c1ccc(-n2cnnc2)cc1.
What is the InChIKey of N-(2-hydroxy-2,5-dimethylhexyl)-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is LCZKZCZIZMZNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13(2)8-9-17(3,23)10-18-16(22)14-4-6-15(7-5-14)21-11-19-20-12-21/h4-7,11-13,23H,8-10H2,1-3H3,(H,18,22).
What are the key properties of N-(2-hydroxy-2,5-dimethylhexyl)-4-(1,2,4-triazol-4-yl)benzamide?
N-(2-hydroxy-2,5-dimethylhexyl)-4-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 316.41 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,5-dimethylhexyl)-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 111485349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).