2-hexyl-N-(2-hydroxy-5-methylphenyl)decanamide

C23H39NO2 — CID 58720637

IUPAC2-hexyl-N-(2-hydroxy-5-methylphenyl)decanamide
SMILESCCCCCCCCC(CCCCCC)C(=O)Nc1cc(C)ccc1O
InChIInChI=1S/C23H39NO2/c1-4-6-8-10-11-13-15-20(14-12-9-7-5-2)23(26)24-21-18-19(3)16-17-22(21)25/h16-18,20,25H,4-15H2,1-3H3,(H,24,26)
InChIKeyOCUYZSSPVXWNDH-UHFFFAOYSA-N
MW361.57 g/mol
LogP6.98
Rot. Bonds14

About 2-hexyl-N-(2-hydroxy-5-methylphenyl)decanamide

2-hexyl-N-(2-hydroxy-5-methylphenyl)decanamide (PubChem CID 58720637) has the molecular formula C23H39NO2 and a molecular weight of 361.57 g/mol. Its IUPAC name is 2-hexyl-N-(2-hydroxy-5-methylphenyl)decanamide.

Molecular Properties

Compound Name2-hexyl-N-(2-hydroxy-5-methylphenyl)decanamide
PubChem CID58720637
Molecular FormulaC23H39NO2
Molecular Weight361.57 g/mol
Exact Mass361.30
IUPAC Name2-hexyl-N-(2-hydroxy-5-methylphenyl)decanamide
SMILESCCCCCCCCC(CCCCCC)C(=O)Nc1cc(C)ccc1O
InChIInChI=1S/C23H39NO2/c1-4-6-8-10-11-13-15-20(14-12-9-7-5-2)23(26)24-21-18-19(3)16-17-22(21)25/h16-18,20,25H,4-15H2,1-3H3,(H,24,26)
InChIKeyOCUYZSSPVXWNDH-UHFFFAOYSA-N
XLogP6.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hexyl-N-(2-hydroxy-5-methylphenyl)decanamide?
The IUPAC name of 2-hexyl-N-(2-hydroxy-5-methylphenyl)decanamide (CID 58720637) is 2-hexyl-N-(2-hydroxy-5-methylphenyl)decanamide.
What is the SMILES notation for 2-hexyl-N-(2-hydroxy-5-methylphenyl)decanamide?
The canonical SMILES for 2-hexyl-N-(2-hydroxy-5-methylphenyl)decanamide is CCCCCCCCC(CCCCCC)C(=O)Nc1cc(C)ccc1O.
What is the InChIKey of 2-hexyl-N-(2-hydroxy-5-methylphenyl)decanamide?
The InChIKey is OCUYZSSPVXWNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO2/c1-4-6-8-10-11-13-15-20(14-12-9-7-5-2)23(26)24-21-18-19(3)16-17-22(21)25/h16-18,20,25H,4-15H2,1-3H3,(H,24,26).
What are the key properties of 2-hexyl-N-(2-hydroxy-5-methylphenyl)decanamide?
2-hexyl-N-(2-hydroxy-5-methylphenyl)decanamide has a molecular weight of 361.57 g/mol, XLogP of 6.98, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-N-(2-hydroxy-5-methylphenyl)decanamide is sourced from PubChem (CID 58720637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).