N-benzylhexadecanamide

C23H39NO — CID 11198769

IUPACN-benzylhexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCc1ccccc1
InChIInChI=1S/C23H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(25)24-21-22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3,(H,24,25)
InChIKeyMLGPKWUKOQAAGI-UHFFFAOYSA-N
MW345.57 g/mol
LogP6.78
Rot. Bonds16

About N-benzylhexadecanamide

N-benzylhexadecanamide (PubChem CID 11198769) has the molecular formula C23H39NO and a molecular weight of 345.57 g/mol. Its IUPAC name is N-benzylhexadecanamide.

Molecular Properties

Compound NameN-benzylhexadecanamide
PubChem CID11198769
Molecular FormulaC23H39NO
Molecular Weight345.57 g/mol
Exact Mass345.30
IUPAC NameN-benzylhexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCc1ccccc1
InChIInChI=1S/C23H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(25)24-21-22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3,(H,24,25)
InChIKeyMLGPKWUKOQAAGI-UHFFFAOYSA-N
XLogP6.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.57
LogP ≤ 56.78
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-benzylhexadecanamide?
The IUPAC name of N-benzylhexadecanamide (CID 11198769) is N-benzylhexadecanamide.
What is the SMILES notation for N-benzylhexadecanamide?
The canonical SMILES for N-benzylhexadecanamide is CCCCCCCCCCCCCCCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzylhexadecanamide?
The InChIKey is MLGPKWUKOQAAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(25)24-21-22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3,(H,24,25).
What are the key properties of N-benzylhexadecanamide?
N-benzylhexadecanamide has a molecular weight of 345.57 g/mol, XLogP of 6.78, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylhexadecanamide is sourced from PubChem (CID 11198769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).