6-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide

C22H41NO2 — CID 21266158

IUPAC6-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide
SMILESCCCCCCCCCCCCCCNC(=O)C1CC=CCC1CO
InChIInChI=1S/C22H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-23-22(25)21-17-14-13-16-20(21)19-24/h13-14,20-21,24H,2-12,15-19H2,1H3,(H,23,25)
InChIKeySSOGUBZCGRIOLT-UHFFFAOYSA-N
MW351.58 g/mol
LogP5.38
Rot. Bonds15

About 6-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide

6-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide (PubChem CID 21266158) has the molecular formula C22H41NO2 and a molecular weight of 351.58 g/mol. Its IUPAC name is 6-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name6-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide
PubChem CID21266158
Molecular FormulaC22H41NO2
Molecular Weight351.58 g/mol
Exact Mass351.31
IUPAC Name6-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide
SMILESCCCCCCCCCCCCCCNC(=O)C1CC=CCC1CO
InChIInChI=1S/C22H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-23-22(25)21-17-14-13-16-20(21)19-24/h13-14,20-21,24H,2-12,15-19H2,1H3,(H,23,25)
InChIKeySSOGUBZCGRIOLT-UHFFFAOYSA-N
XLogP5.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide?
The IUPAC name of 6-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide (CID 21266158) is 6-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 6-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for 6-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide is CCCCCCCCCCCCCCNC(=O)C1CC=CCC1CO.
What is the InChIKey of 6-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide?
The InChIKey is SSOGUBZCGRIOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-23-22(25)21-17-14-13-16-20(21)19-24/h13-14,20-21,24H,2-12,15-19H2,1H3,(H,23,25).
What are the key properties of 6-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide?
6-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide has a molecular weight of 351.58 g/mol, XLogP of 5.38, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 21266158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).