3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide

C15H23NO3 — CID 110025600

IUPAC3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
SMILESCC(C)CCC(C)(O)CNC(=O)c1cccc(O)c1
InChIInChI=1S/C15H23NO3/c1-11(2)7-8-15(3,19)10-16-14(18)12-5-4-6-13(17)9-12/h4-6,9,11,17,19H,7-8,10H2,1-3H3,(H,16,18)
InChIKeyKYSIUWCWECUYDL-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.31
Rot. Bonds6

About 3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide

3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide (PubChem CID 110025600) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
PubChem CID110025600
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
SMILESCC(C)CCC(C)(O)CNC(=O)c1cccc(O)c1
InChIInChI=1S/C15H23NO3/c1-11(2)7-8-15(3,19)10-16-14(18)12-5-4-6-13(17)9-12/h4-6,9,11,17,19H,7-8,10H2,1-3H3,(H,16,18)
InChIKeyKYSIUWCWECUYDL-UHFFFAOYSA-N
XLogP2.31
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 111485472
3-[(dimethylamino)methyl]-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 111485450
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide
CID 110026112
N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide
CID 111485327
N-(2-hydroxy-2,5-dimethylhexyl)-3-(1,2,4-triazol-1-yl)benzamide
CID 111485159
N-(2-hydroxy-2,5-dimethylhexyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 111595875
N-(2-hydroxy-2,5-dimethylhexyl)-1-oxidopyridin-1-ium-3-carboxamide
CID 111485416
N-(3-chloro-2,2-dimethylpropyl)-3-hydroxybenzamide
CID 115364515
3-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 110465856
3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179359
N-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide
CID 106289382
2-cyano-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 111825762

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide?
The IUPAC name of 3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide (CID 110025600) is 3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide.
What is the SMILES notation for 3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide?
The canonical SMILES for 3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide is CC(C)CCC(C)(O)CNC(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide?
The InChIKey is KYSIUWCWECUYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)7-8-15(3,19)10-16-14(18)12-5-4-6-13(17)9-12/h4-6,9,11,17,19H,7-8,10H2,1-3H3,(H,16,18).
What are the key properties of 3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide?
3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide has a molecular weight of 265.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide is sourced from PubChem (CID 110025600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).