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

C23H39NO2 — CID 20778621

IUPACN-hexyl-2-(2-hydroxy-5-methylphenyl)-N-octylacetamide
SMILESCCCCCCCCN(CCCCCC)C(=O)Cc1cc(C)ccc1O
InChIInChI=1S/C23H39NO2/c1-4-6-8-10-11-13-17-24(16-12-9-7-5-2)23(26)19-21-18-20(3)14-15-22(21)25/h14-15,18,25H,4-13,16-17,19H2,1-3H3
InChIKeyIYMLZQLZLPJFTK-UHFFFAOYSA-N
MW361.57 g/mol
LogP6.01
Rot. Bonds14

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

N-hexyl-2-(2-hydroxy-5-methylphenyl)-N-octylacetamide (PubChem CID 20778621) has the molecular formula C23H39NO2 and a molecular weight of 361.57 g/mol. Its IUPAC name is N-hexyl-2-(2-hydroxy-5-methylphenyl)-N-octylacetamide.

Molecular Properties

Compound NameN-hexyl-2-(2-hydroxy-5-methylphenyl)-N-octylacetamide
PubChem CID20778621
Molecular FormulaC23H39NO2
Molecular Weight361.57 g/mol
Exact Mass361.30
IUPAC NameN-hexyl-2-(2-hydroxy-5-methylphenyl)-N-octylacetamide
SMILESCCCCCCCCN(CCCCCC)C(=O)Cc1cc(C)ccc1O
InChIInChI=1S/C23H39NO2/c1-4-6-8-10-11-13-17-24(16-12-9-7-5-2)23(26)19-21-18-20(3)14-15-22(21)25/h14-15,18,25H,4-13,16-17,19H2,1-3H3
InChIKeyIYMLZQLZLPJFTK-UHFFFAOYSA-N
XLogP6.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-(2-hydroxy-5-methylphenyl)-N-octylacetamide?
The IUPAC name of N-hexyl-2-(2-hydroxy-5-methylphenyl)-N-octylacetamide (CID 20778621) is N-hexyl-2-(2-hydroxy-5-methylphenyl)-N-octylacetamide.
What is the SMILES notation for N-hexyl-2-(2-hydroxy-5-methylphenyl)-N-octylacetamide?
The canonical SMILES for N-hexyl-2-(2-hydroxy-5-methylphenyl)-N-octylacetamide is CCCCCCCCN(CCCCCC)C(=O)Cc1cc(C)ccc1O.
What is the InChIKey of N-hexyl-2-(2-hydroxy-5-methylphenyl)-N-octylacetamide?
The InChIKey is IYMLZQLZLPJFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO2/c1-4-6-8-10-11-13-17-24(16-12-9-7-5-2)23(26)19-21-18-20(3)14-15-22(21)25/h14-15,18,25H,4-13,16-17,19H2,1-3H3.
What are the key properties of N-hexyl-2-(2-hydroxy-5-methylphenyl)-N-octylacetamide?
N-hexyl-2-(2-hydroxy-5-methylphenyl)-N-octylacetamide has a molecular weight of 361.57 g/mol, XLogP of 6.01, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-(2-hydroxy-5-methylphenyl)-N-octylacetamide is sourced from PubChem (CID 20778621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).