(5Z,8E)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]tetradeca-5,8-dienamide

C32H59NO3 — CID 173484173

About (5Z,8E)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]tetradeca-5,8-dienamide

(5Z,8E)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]tetradeca-5,8-dienamide (PubChem CID 173484173) has the molecular formula C32H59NO3 and a molecular weight of 505.83 g/mol. Its IUPAC name is (5Z,8E)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]tetradeca-5,8-dienamide.

Molecular Properties

• Compound Name: (5Z,8E)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]tetradeca-5,8-dienamide
• PubChem CID: 173484173
• Molecular Formula: C32H59NO3
• Molecular Weight: 505.83 g/mol
• Exact Mass: 505.45
• IUPAC Name: (5Z,8E)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]tetradeca-5,8-dienamide
• SMILES: CCCCC/C=C/C/C=C\CCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCC
• InChI: InChI=1S/C32H59NO3/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(35)30(29-34)33-32(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h12,14,20,22,25,27,30-31,34-35H,3-11,13,15-19,21,23-24,26,28-29H2,1-2H3,(H,33,36)/b14-12+,22-20-,27-25+/t30-,31+/m0/s1
• InChIKey: ACCLCDJWQBRBAB-YTWYPRISSA-N
• XLogP: 8.33
• TPSA: 69.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 26
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.83
LogP ≤ 5	8.33
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 (5Z,8E)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]tetradeca-5,8-dienamide?

The IUPAC name of (5Z,8E)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]tetradeca-5,8-dienamide (CID 173484173) is (5Z,8E)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]tetradeca-5,8-dienamide.

What is the SMILES notation for (5Z,8E)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]tetradeca-5,8-dienamide?

The canonical SMILES for (5Z,8E)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]tetradeca-5,8-dienamide is CCCCC/C=C/C/C=C\CCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCC.

What is the InChIKey of (5Z,8E)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]tetradeca-5,8-dienamide?

The InChIKey is ACCLCDJWQBRBAB-YTWYPRISSA-N. The full InChI is InChI=1S/C32H59NO3/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(35)30(29-34)33-32(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h12,14,20,22,25,27,30-31,34-35H,3-11,13,15-19,21,23-24,26,28-29H2,1-2H3,(H,33,36)/b14-12+,22-20-,27-25+/t30-,31+/m0/s1.

What are the key properties of (5Z,8E)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]tetradeca-5,8-dienamide?

(5Z,8E)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]tetradeca-5,8-dienamide has a molecular weight of 505.83 g/mol, XLogP of 8.33, 26 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z,8E)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]tetradeca-5,8-dienamide is sourced from PubChem (CID 173484173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).