N-cyclobutylhexadecanamide

C20H39NO — CID 67041463

IUPACN-cyclobutylhexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC1CCC1
InChIInChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-20(22)21-19-16-15-17-19/h19H,2-18H2,1H3,(H,21,22)
InChIKeyAPEQHFIIKWGRNJ-UHFFFAOYSA-N
MW309.54 g/mol
LogP6.14
Rot. Bonds15

About N-cyclobutylhexadecanamide

N-cyclobutylhexadecanamide (PubChem CID 67041463) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is N-cyclobutylhexadecanamide.

Molecular Properties

Compound NameN-cyclobutylhexadecanamide
PubChem CID67041463
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC NameN-cyclobutylhexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC1CCC1
InChIInChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-20(22)21-19-16-15-17-19/h19H,2-18H2,1H3,(H,21,22)
InChIKeyAPEQHFIIKWGRNJ-UHFFFAOYSA-N
XLogP6.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 56.14
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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Related Compounds

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CID 4668836
N-[2-(dodecanoylamino)cyclohexyl]dodecanamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclobutylhexadecanamide?
The IUPAC name of N-cyclobutylhexadecanamide (CID 67041463) is N-cyclobutylhexadecanamide.
What is the SMILES notation for N-cyclobutylhexadecanamide?
The canonical SMILES for N-cyclobutylhexadecanamide is CCCCCCCCCCCCCCCC(=O)NC1CCC1.
What is the InChIKey of N-cyclobutylhexadecanamide?
The InChIKey is APEQHFIIKWGRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-20(22)21-19-16-15-17-19/h19H,2-18H2,1H3,(H,21,22).
What are the key properties of N-cyclobutylhexadecanamide?
N-cyclobutylhexadecanamide has a molecular weight of 309.54 g/mol, XLogP of 6.14, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutylhexadecanamide is sourced from PubChem (CID 67041463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).