6-(3-hydroxy-5-pentylphenoxy)-N-(4-hydroxyphenyl)hexanamide

C23H31NO4 — CID 11494742

IUPAC6-(3-hydroxy-5-pentylphenoxy)-N-(4-hydroxyphenyl)hexanamide
SMILESCCCCCc1cc(O)cc(OCCCCCC(=O)Nc2ccc(O)cc2)c1
InChIInChI=1S/C23H31NO4/c1-2-3-5-8-18-15-21(26)17-22(16-18)28-14-7-4-6-9-23(27)24-19-10-12-20(25)13-11-19/h10-13,15-17,25-26H,2-9,14H2,1H3,(H,24,27)
InChIKeyDBYUPXIMKJSUIP-UHFFFAOYSA-N
MW385.50 g/mol
LogP5.41
Rot. Bonds12

About 6-(3-hydroxy-5-pentylphenoxy)-N-(4-hydroxyphenyl)hexanamide

6-(3-hydroxy-5-pentylphenoxy)-N-(4-hydroxyphenyl)hexanamide (PubChem CID 11494742) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is 6-(3-hydroxy-5-pentylphenoxy)-N-(4-hydroxyphenyl)hexanamide.

Molecular Properties

Compound Name6-(3-hydroxy-5-pentylphenoxy)-N-(4-hydroxyphenyl)hexanamide
PubChem CID11494742
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name6-(3-hydroxy-5-pentylphenoxy)-N-(4-hydroxyphenyl)hexanamide
SMILESCCCCCc1cc(O)cc(OCCCCCC(=O)Nc2ccc(O)cc2)c1
InChIInChI=1S/C23H31NO4/c1-2-3-5-8-18-15-21(26)17-22(16-18)28-14-7-4-6-9-23(27)24-19-10-12-20(25)13-11-19/h10-13,15-17,25-26H,2-9,14H2,1H3,(H,24,27)
InChIKeyDBYUPXIMKJSUIP-UHFFFAOYSA-N
XLogP5.41
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.50
LogP ≤ 55.41
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-(4-hexyl-3-hydroxyphenoxy)-N-(4-hydroxyphenyl)hexanamide
CID 11661279
N-cyclopropyl-16-(3-hydroxy-5-pentylphenoxy)hexadecanamide
CID 11605290
N-cyclopropyl-11-(3-hydroxy-5-pentylphenoxy)undecanamide
CID 11654304
8-(3-hydroxy-5-pentylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]octanamide
CID 118710952
N-(4-hydroxyphenyl)-N'-(4-octadecoxyphenyl)propanediamide
CID 18983779
N-(1-adamantyl)-11-(3-hydroxy-5-pentylphenoxy)undecanamide
CID 118710965
N-(4-heptylphenyl)heptanamide
CID 101077737
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
cyclopropanamine;11-(3-hydroxy-5-pentylphenoxy)undecanoic acid
CID 69037430
N-(4-decoxyphenyl)butanamide
CID 143303175

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-5-pentylphenoxy)-N-(4-hydroxyphenyl)hexanamide?
The IUPAC name of 6-(3-hydroxy-5-pentylphenoxy)-N-(4-hydroxyphenyl)hexanamide (CID 11494742) is 6-(3-hydroxy-5-pentylphenoxy)-N-(4-hydroxyphenyl)hexanamide.
What is the SMILES notation for 6-(3-hydroxy-5-pentylphenoxy)-N-(4-hydroxyphenyl)hexanamide?
The canonical SMILES for 6-(3-hydroxy-5-pentylphenoxy)-N-(4-hydroxyphenyl)hexanamide is CCCCCc1cc(O)cc(OCCCCCC(=O)Nc2ccc(O)cc2)c1.
What is the InChIKey of 6-(3-hydroxy-5-pentylphenoxy)-N-(4-hydroxyphenyl)hexanamide?
The InChIKey is DBYUPXIMKJSUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-2-3-5-8-18-15-21(26)17-22(16-18)28-14-7-4-6-9-23(27)24-19-10-12-20(25)13-11-19/h10-13,15-17,25-26H,2-9,14H2,1H3,(H,24,27).
What are the key properties of 6-(3-hydroxy-5-pentylphenoxy)-N-(4-hydroxyphenyl)hexanamide?
6-(3-hydroxy-5-pentylphenoxy)-N-(4-hydroxyphenyl)hexanamide has a molecular weight of 385.50 g/mol, XLogP of 5.41, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-5-pentylphenoxy)-N-(4-hydroxyphenyl)hexanamide is sourced from PubChem (CID 11494742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).