N-(4-methylphenyl)hexadecanamide

C23H39NO — CID 13445342

IUPACN-(4-methylphenyl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C23H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(25)24-22-19-17-21(2)18-20-22/h17-20H,3-16H2,1-2H3,(H,24,25)
InChIKeyVFVGSWMMXVEWGL-UHFFFAOYSA-N
MW345.57 g/mol
LogP7.41
Rot. Bonds15

About N-(4-methylphenyl)hexadecanamide

N-(4-methylphenyl)hexadecanamide (PubChem CID 13445342) has the molecular formula C23H39NO and a molecular weight of 345.57 g/mol. Its IUPAC name is N-(4-methylphenyl)hexadecanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)hexadecanamide
PubChem CID13445342
Molecular FormulaC23H39NO
Molecular Weight345.57 g/mol
Exact Mass345.30
IUPAC NameN-(4-methylphenyl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C23H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(25)24-22-19-17-21(2)18-20-22/h17-20H,3-16H2,1-2H3,(H,24,25)
InChIKeyVFVGSWMMXVEWGL-UHFFFAOYSA-N
XLogP7.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.57
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(4-methylphenyl)hexadecanamide?
The IUPAC name of N-(4-methylphenyl)hexadecanamide (CID 13445342) is N-(4-methylphenyl)hexadecanamide.
What is the SMILES notation for N-(4-methylphenyl)hexadecanamide?
The canonical SMILES for N-(4-methylphenyl)hexadecanamide is CCCCCCCCCCCCCCCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)hexadecanamide?
The InChIKey is VFVGSWMMXVEWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(25)24-22-19-17-21(2)18-20-22/h17-20H,3-16H2,1-2H3,(H,24,25).
What are the key properties of N-(4-methylphenyl)hexadecanamide?
N-(4-methylphenyl)hexadecanamide has a molecular weight of 345.57 g/mol, XLogP of 7.41, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)hexadecanamide is sourced from PubChem (CID 13445342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).