N-tetradecylcyclohexanecarboxamide

C21H41NO — CID 53394586

IUPACN-tetradecylcyclohexanecarboxamide
SMILESCCCCCCCCCCCCCCNC(=O)C1CCCCC1
InChIInChI=1S/C21H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22-21(23)20-17-14-13-15-18-20/h20H,2-19H2,1H3,(H,22,23)
InChIKeyMIHNEWQWEUOBSN-UHFFFAOYSA-N
MW323.57 g/mol
LogP6.38
Rot. Bonds14

About N-tetradecylcyclohexanecarboxamide

N-tetradecylcyclohexanecarboxamide (PubChem CID 53394586) has the molecular formula C21H41NO and a molecular weight of 323.57 g/mol. Its IUPAC name is N-tetradecylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-tetradecylcyclohexanecarboxamide
PubChem CID53394586
Molecular FormulaC21H41NO
Molecular Weight323.57 g/mol
Exact Mass323.32
IUPAC NameN-tetradecylcyclohexanecarboxamide
SMILESCCCCCCCCCCCCCCNC(=O)C1CCCCC1
InChIInChI=1S/C21H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22-21(23)20-17-14-13-15-18-20/h20H,2-19H2,1H3,(H,22,23)
InChIKeyMIHNEWQWEUOBSN-UHFFFAOYSA-N
XLogP6.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.57
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-tetradecylcyclohexanecarboxamide?
The IUPAC name of N-tetradecylcyclohexanecarboxamide (CID 53394586) is N-tetradecylcyclohexanecarboxamide.
What is the SMILES notation for N-tetradecylcyclohexanecarboxamide?
The canonical SMILES for N-tetradecylcyclohexanecarboxamide is CCCCCCCCCCCCCCNC(=O)C1CCCCC1.
What is the InChIKey of N-tetradecylcyclohexanecarboxamide?
The InChIKey is MIHNEWQWEUOBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22-21(23)20-17-14-13-15-18-20/h20H,2-19H2,1H3,(H,22,23).
What are the key properties of N-tetradecylcyclohexanecarboxamide?
N-tetradecylcyclohexanecarboxamide has a molecular weight of 323.57 g/mol, XLogP of 6.38, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tetradecylcyclohexanecarboxamide is sourced from PubChem (CID 53394586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).