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

C26H49NO2 — CID 15480986

IUPAC6-(hydroxymethyl)-N-octadecylcyclohex-3-ene-1-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)C1CC=CCC1CO
InChIInChI=1S/C26H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27-26(29)25-21-18-17-20-24(25)23-28/h17-18,24-25,28H,2-16,19-23H2,1H3,(H,27,29)
InChIKeyFLVUEBPVTNAQPY-UHFFFAOYSA-N
MW407.68 g/mol
LogP6.94
Rot. Bonds19

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

6-(hydroxymethyl)-N-octadecylcyclohex-3-ene-1-carboxamide (PubChem CID 15480986) has the molecular formula C26H49NO2 and a molecular weight of 407.68 g/mol. Its IUPAC name is 6-(hydroxymethyl)-N-octadecylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name6-(hydroxymethyl)-N-octadecylcyclohex-3-ene-1-carboxamide
PubChem CID15480986
Molecular FormulaC26H49NO2
Molecular Weight407.68 g/mol
Exact Mass407.38
IUPAC Name6-(hydroxymethyl)-N-octadecylcyclohex-3-ene-1-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)C1CC=CCC1CO
InChIInChI=1S/C26H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27-26(29)25-21-18-17-20-24(25)23-28/h17-18,24-25,28H,2-16,19-23H2,1H3,(H,27,29)
InChIKeyFLVUEBPVTNAQPY-UHFFFAOYSA-N
XLogP6.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.68
LogP ≤ 56.94
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'}

Analyze 6-(hydroxymethyl)-N-octadecylcyclohex-3-ene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-N-octadecylcyclohex-3-ene-1-carboxamide?
The IUPAC name of 6-(hydroxymethyl)-N-octadecylcyclohex-3-ene-1-carboxamide (CID 15480986) is 6-(hydroxymethyl)-N-octadecylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 6-(hydroxymethyl)-N-octadecylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for 6-(hydroxymethyl)-N-octadecylcyclohex-3-ene-1-carboxamide is CCCCCCCCCCCCCCCCCCNC(=O)C1CC=CCC1CO.
What is the InChIKey of 6-(hydroxymethyl)-N-octadecylcyclohex-3-ene-1-carboxamide?
The InChIKey is FLVUEBPVTNAQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27-26(29)25-21-18-17-20-24(25)23-28/h17-18,24-25,28H,2-16,19-23H2,1H3,(H,27,29).
What are the key properties of 6-(hydroxymethyl)-N-octadecylcyclohex-3-ene-1-carboxamide?
6-(hydroxymethyl)-N-octadecylcyclohex-3-ene-1-carboxamide has a molecular weight of 407.68 g/mol, XLogP of 6.94, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-N-octadecylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 15480986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).