N-(2-ethyl-2-hydroxyhexyl)-4-hydroxybenzamide

C15H23NO3 — CID 142176997

IUPACN-(2-ethyl-2-hydroxyhexyl)-4-hydroxybenzamide
SMILESCCCCC(O)(CC)CNC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H23NO3/c1-3-5-10-15(19,4-2)11-16-14(18)12-6-8-13(17)9-7-12/h6-9,17,19H,3-5,10-11H2,1-2H3,(H,16,18)
InChIKeyBIOMPPNQHPGMJN-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.45
Rot. Bonds7

About N-(2-ethyl-2-hydroxyhexyl)-4-hydroxybenzamide

N-(2-ethyl-2-hydroxyhexyl)-4-hydroxybenzamide (PubChem CID 142176997) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxyhexyl)-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxyhexyl)-4-hydroxybenzamide
PubChem CID142176997
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(2-ethyl-2-hydroxyhexyl)-4-hydroxybenzamide
SMILESCCCCC(O)(CC)CNC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H23NO3/c1-3-5-10-15(19,4-2)11-16-14(18)12-6-8-13(17)9-7-12/h6-9,17,19H,3-5,10-11H2,1-2H3,(H,16,18)
InChIKeyBIOMPPNQHPGMJN-UHFFFAOYSA-N
XLogP2.45
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide
CID 111483322
N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide
CID 65112295
N-(2-ethyl-2-hydroxybutyl)-4-formylbenzamide
CID 111463479
N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide
CID 65112007
N-decyl-4-hydroxybenzamide
CID 15277871
N-[2-(chloromethyl)-2-ethylbutyl]-4-hydroxybenzamide
CID 106253561
N-(2-ethyl-2-hydroxybutyl)-4-nitrobenzamide
CID 65112701
ethane;N-ethyl-4-hydroxybenzamide
CID 144926309
3-hydroxy-N-(2-hydroxy-2-propylpentyl)-5-methylbenzamide
CID 111578629
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxybenzamide
CID 103875188
4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240357
N-(2-ethyl-2-hydroxypentyl)-2-fluoropyridine-4-carboxamide
CID 144683885

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxyhexyl)-4-hydroxybenzamide?
The IUPAC name of N-(2-ethyl-2-hydroxyhexyl)-4-hydroxybenzamide (CID 142176997) is N-(2-ethyl-2-hydroxyhexyl)-4-hydroxybenzamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxyhexyl)-4-hydroxybenzamide?
The canonical SMILES for N-(2-ethyl-2-hydroxyhexyl)-4-hydroxybenzamide is CCCCC(O)(CC)CNC(=O)c1ccc(O)cc1.
What is the InChIKey of N-(2-ethyl-2-hydroxyhexyl)-4-hydroxybenzamide?
The InChIKey is BIOMPPNQHPGMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-5-10-15(19,4-2)11-16-14(18)12-6-8-13(17)9-7-12/h6-9,17,19H,3-5,10-11H2,1-2H3,(H,16,18).
What are the key properties of N-(2-ethyl-2-hydroxyhexyl)-4-hydroxybenzamide?
N-(2-ethyl-2-hydroxyhexyl)-4-hydroxybenzamide has a molecular weight of 265.35 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxyhexyl)-4-hydroxybenzamide is sourced from PubChem (CID 142176997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).