N-hexyltetradecanamide

C20H41NO — CID 91717888

IUPACN-hexyltetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCCCCCC
InChIInChI=1S/C20H41NO/c1-3-5-7-9-10-11-12-13-14-15-16-18-20(22)21-19-17-8-6-4-2/h3-19H2,1-2H3,(H,21,22)
InChIKeyLDGQLZCIZWLVHU-UHFFFAOYSA-N
MW311.55 g/mol
LogP6.38
Rot. Bonds17

About N-hexyltetradecanamide

N-hexyltetradecanamide (PubChem CID 91717888) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is N-hexyltetradecanamide.

Molecular Properties

Compound NameN-hexyltetradecanamide
PubChem CID91717888
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC NameN-hexyltetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCCCCCC
InChIInChI=1S/C20H41NO/c1-3-5-7-9-10-11-12-13-14-15-16-18-20(22)21-19-17-8-6-4-2/h3-19H2,1-2H3,(H,21,22)
InChIKeyLDGQLZCIZWLVHU-UHFFFAOYSA-N
XLogP6.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 56.38
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-hexyltetradecanamide?
The IUPAC name of N-hexyltetradecanamide (CID 91717888) is N-hexyltetradecanamide.
What is the SMILES notation for N-hexyltetradecanamide?
The canonical SMILES for N-hexyltetradecanamide is CCCCCCCCCCCCCC(=O)NCCCCCC.
What is the InChIKey of N-hexyltetradecanamide?
The InChIKey is LDGQLZCIZWLVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-3-5-7-9-10-11-12-13-14-15-16-18-20(22)21-19-17-8-6-4-2/h3-19H2,1-2H3,(H,21,22).
What are the key properties of N-hexyltetradecanamide?
N-hexyltetradecanamide has a molecular weight of 311.55 g/mol, XLogP of 6.38, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyltetradecanamide is sourced from PubChem (CID 91717888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).