(21Z,24Z)-N-(1,3-dihydroxynonadecan-2-yl)dotetraconta-21,24-dienamide

C61H119NO3 — CID 138166415

About (21Z,24Z)-N-(1,3-dihydroxynonadecan-2-yl)dotetraconta-21,24-dienamide

(21Z,24Z)-N-(1,3-dihydroxynonadecan-2-yl)dotetraconta-21,24-dienamide (PubChem CID 138166415) has the molecular formula C61H119NO3 and a molecular weight of 914.63 g/mol. Its IUPAC name is (21Z,24Z)-N-(1,3-dihydroxynonadecan-2-yl)dotetraconta-21,24-dienamide.

Molecular Properties

• Compound Name: (21Z,24Z)-N-(1,3-dihydroxynonadecan-2-yl)dotetraconta-21,24-dienamide
• PubChem CID: 138166415
• Molecular Formula: C61H119NO3
• Molecular Weight: 914.63 g/mol
• Exact Mass: 913.92
• IUPAC Name: (21Z,24Z)-N-(1,3-dihydroxynonadecan-2-yl)dotetraconta-21,24-dienamide
• SMILES: CCCCCCCCCCCCCCCCC/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCC
• InChI: InChI=1S/C61H119NO3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-45-47-49-51-53-55-57-61(65)62-59(58-63)60(64)56-54-52-50-48-46-44-18-16-14-12-10-8-6-4-2/h27-28,30-31,59-60,63-64H,3-26,29,32-58H2,1-2H3,(H,62,65)/b28-27-,31-30-
• InChIKey: HBCYBWNUMDJGDD-FZKIADCJSA-N
• XLogP: 19.87
• TPSA: 69.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 56
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	914.63
LogP ≤ 5	19.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (21Z,24Z)-N-(1,3-dihydroxynonadecan-2-yl)dotetraconta-21,24-dienamide?

The IUPAC name of (21Z,24Z)-N-(1,3-dihydroxynonadecan-2-yl)dotetraconta-21,24-dienamide (CID 138166415) is (21Z,24Z)-N-(1,3-dihydroxynonadecan-2-yl)dotetraconta-21,24-dienamide.

What is the SMILES notation for (21Z,24Z)-N-(1,3-dihydroxynonadecan-2-yl)dotetraconta-21,24-dienamide?

The canonical SMILES for (21Z,24Z)-N-(1,3-dihydroxynonadecan-2-yl)dotetraconta-21,24-dienamide is CCCCCCCCCCCCCCCCC/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCC.

What is the InChIKey of (21Z,24Z)-N-(1,3-dihydroxynonadecan-2-yl)dotetraconta-21,24-dienamide?

The InChIKey is HBCYBWNUMDJGDD-FZKIADCJSA-N. The full InChI is InChI=1S/C61H119NO3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-45-47-49-51-53-55-57-61(65)62-59(58-63)60(64)56-54-52-50-48-46-44-18-16-14-12-10-8-6-4-2/h27-28,30-31,59-60,63-64H,3-26,29,32-58H2,1-2H3,(H,62,65)/b28-27-,31-30-.

What are the key properties of (21Z,24Z)-N-(1,3-dihydroxynonadecan-2-yl)dotetraconta-21,24-dienamide?

(21Z,24Z)-N-(1,3-dihydroxynonadecan-2-yl)dotetraconta-21,24-dienamide has a molecular weight of 914.63 g/mol, XLogP of 19.87, 56 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (21Z,24Z)-N-(1,3-dihydroxynonadecan-2-yl)dotetraconta-21,24-dienamide is sourced from PubChem (CID 138166415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).