6-(4-hexyl-3-hydroxyphenoxy)-N-(4-hydroxyphenyl)hexanamide

C24H33NO4 — CID 11661279

IUPAC6-(4-hexyl-3-hydroxyphenoxy)-N-(4-hydroxyphenyl)hexanamide
SMILESCCCCCCc1ccc(OCCCCCC(=O)Nc2ccc(O)cc2)cc1O
InChIInChI=1S/C24H33NO4/c1-2-3-4-6-9-19-11-16-22(18-23(19)27)29-17-8-5-7-10-24(28)25-20-12-14-21(26)15-13-20/h11-16,18,26-27H,2-10,17H2,1H3,(H,25,28)
InChIKeyHGYIJOOIOXOAIS-UHFFFAOYSA-N
MW399.53 g/mol
LogP5.80
Rot. Bonds13

About 6-(4-hexyl-3-hydroxyphenoxy)-N-(4-hydroxyphenyl)hexanamide

6-(4-hexyl-3-hydroxyphenoxy)-N-(4-hydroxyphenyl)hexanamide (PubChem CID 11661279) has the molecular formula C24H33NO4 and a molecular weight of 399.53 g/mol. Its IUPAC name is 6-(4-hexyl-3-hydroxyphenoxy)-N-(4-hydroxyphenyl)hexanamide.

Molecular Properties

Compound Name6-(4-hexyl-3-hydroxyphenoxy)-N-(4-hydroxyphenyl)hexanamide
PubChem CID11661279
Molecular FormulaC24H33NO4
Molecular Weight399.53 g/mol
Exact Mass399.24
IUPAC Name6-(4-hexyl-3-hydroxyphenoxy)-N-(4-hydroxyphenyl)hexanamide
SMILESCCCCCCc1ccc(OCCCCCC(=O)Nc2ccc(O)cc2)cc1O
InChIInChI=1S/C24H33NO4/c1-2-3-4-6-9-19-11-16-22(18-23(19)27)29-17-8-5-7-10-24(28)25-20-12-14-21(26)15-13-20/h11-16,18,26-27H,2-10,17H2,1H3,(H,25,28)
InChIKeyHGYIJOOIOXOAIS-UHFFFAOYSA-N
XLogP5.80
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

6-(3-hydroxy-5-pentylphenoxy)-N-(4-hydroxyphenyl)hexanamide
CID 11494742
N-(4-hydroxyphenyl)-N'-(4-octadecoxyphenyl)propanediamide
CID 18983779
N-(4-decoxyphenyl)butanamide
CID 143303175
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322
11-(3-hydroxyphenoxy)-N-(4-hydroxyphenyl)undecanamide
CID 11661005
N-[4-(4-hydroxyphenyl)phenyl]octanamide
CID 139889893
N-[4-(6-oxohexoxy)phenyl]hexanamide
CID 54463406
5-(4-hexoxyanilino)-5-oxopentanoic acid
CID 4939430
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
CID 3351099
5-ethoxy-2-hexylphenol
CID 3021981
N-(3-butyl-4-hydroxyphenyl)tetradecanamide
CID 142641305

Frequently Asked Questions

What is the IUPAC name of 6-(4-hexyl-3-hydroxyphenoxy)-N-(4-hydroxyphenyl)hexanamide?
The IUPAC name of 6-(4-hexyl-3-hydroxyphenoxy)-N-(4-hydroxyphenyl)hexanamide (CID 11661279) is 6-(4-hexyl-3-hydroxyphenoxy)-N-(4-hydroxyphenyl)hexanamide.
What is the SMILES notation for 6-(4-hexyl-3-hydroxyphenoxy)-N-(4-hydroxyphenyl)hexanamide?
The canonical SMILES for 6-(4-hexyl-3-hydroxyphenoxy)-N-(4-hydroxyphenyl)hexanamide is CCCCCCc1ccc(OCCCCCC(=O)Nc2ccc(O)cc2)cc1O.
What is the InChIKey of 6-(4-hexyl-3-hydroxyphenoxy)-N-(4-hydroxyphenyl)hexanamide?
The InChIKey is HGYIJOOIOXOAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO4/c1-2-3-4-6-9-19-11-16-22(18-23(19)27)29-17-8-5-7-10-24(28)25-20-12-14-21(26)15-13-20/h11-16,18,26-27H,2-10,17H2,1H3,(H,25,28).
What are the key properties of 6-(4-hexyl-3-hydroxyphenoxy)-N-(4-hydroxyphenyl)hexanamide?
6-(4-hexyl-3-hydroxyphenoxy)-N-(4-hydroxyphenyl)hexanamide has a molecular weight of 399.53 g/mol, XLogP of 5.80, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hexyl-3-hydroxyphenoxy)-N-(4-hydroxyphenyl)hexanamide is sourced from PubChem (CID 11661279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).