(14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z)-N-[(4E,8E)-1,3-dihydroxytetradeca-4,8-dien-2-yl]octatriaconta-14,17,20,23,26,29,32,35-octaenamide

C52H85NO3 — CID 164501204

About (14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z)-N-[(4E,8E)-1,3-dihydroxytetradeca-4,8-dien-2-yl]octatriaconta-14,17,20,23,26,29,32,35-octaenamide

(14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z)-N-[(4E,8E)-1,3-dihydroxytetradeca-4,8-dien-2-yl]octatriaconta-14,17,20,23,26,29,32,35-octaenamide (PubChem CID 164501204) has the molecular formula C52H85NO3 and a molecular weight of 772.26 g/mol. Its IUPAC name is (14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z)-N-[(4E,8E)-1,3-dihydroxytetradeca-4,8-dien-2-yl]octatriaconta-14,17,20,23,26,29,32,35-octaenamide.

Molecular Properties

• Compound Name: (14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z)-N-[(4E,8E)-1,3-dihydroxytetradeca-4,8-dien-2-yl]octatriaconta-14,17,20,23,26,29,32,35-octaenamide
• PubChem CID: 164501204
• Molecular Formula: C52H85NO3
• Molecular Weight: 772.26 g/mol
• Exact Mass: 771.65
• IUPAC Name: (14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z)-N-[(4E,8E)-1,3-dihydroxytetradeca-4,8-dien-2-yl]octatriaconta-14,17,20,23,26,29,32,35-octaenamide
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)NC(CO)C(O)/C=C/CC/C=C/CCCCC
• InChI: InChI=1S/C52H85NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-52(56)53-50(49-54)51(55)47-45-43-41-39-12-10-8-6-4-2/h5,7,11-13,15-16,18-19,21-22,24-25,27-28,30-31,39,45,47,50-51,54-55H,3-4,6,8-10,14,17,20,23,26,29,32-38,40-44,46,48-49H2,1-2H3,(H,53,56)/b7-5-,13-11-,16-15-,19-18-,22-21-,25-24-,28-27-,31-30-,39-12+,47-45+
• InChIKey: ZHTNESWVGQLVQQ-SUFILYAZSA-N
• XLogP: 14.57
• TPSA: 69.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 39
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.26
LogP ≤ 5	14.57
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 (14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z)-N-[(4E,8E)-1,3-dihydroxytetradeca-4,8-dien-2-yl]octatriaconta-14,17,20,23,26,29,32,35-octaenamide?

The IUPAC name of (14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z)-N-[(4E,8E)-1,3-dihydroxytetradeca-4,8-dien-2-yl]octatriaconta-14,17,20,23,26,29,32,35-octaenamide (CID 164501204) is (14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z)-N-[(4E,8E)-1,3-dihydroxytetradeca-4,8-dien-2-yl]octatriaconta-14,17,20,23,26,29,32,35-octaenamide.

What is the SMILES notation for (14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z)-N-[(4E,8E)-1,3-dihydroxytetradeca-4,8-dien-2-yl]octatriaconta-14,17,20,23,26,29,32,35-octaenamide?

The canonical SMILES for (14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z)-N-[(4E,8E)-1,3-dihydroxytetradeca-4,8-dien-2-yl]octatriaconta-14,17,20,23,26,29,32,35-octaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)NC(CO)C(O)/C=C/CC/C=C/CCCCC.

What is the InChIKey of (14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z)-N-[(4E,8E)-1,3-dihydroxytetradeca-4,8-dien-2-yl]octatriaconta-14,17,20,23,26,29,32,35-octaenamide?

The InChIKey is ZHTNESWVGQLVQQ-SUFILYAZSA-N. The full InChI is InChI=1S/C52H85NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-52(56)53-50(49-54)51(55)47-45-43-41-39-12-10-8-6-4-2/h5,7,11-13,15-16,18-19,21-22,24-25,27-28,30-31,39,45,47,50-51,54-55H,3-4,6,8-10,14,17,20,23,26,29,32-38,40-44,46,48-49H2,1-2H3,(H,53,56)/b7-5-,13-11-,16-15-,19-18-,22-21-,25-24-,28-27-,31-30-,39-12+,47-45+.

What are the key properties of (14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z)-N-[(4E,8E)-1,3-dihydroxytetradeca-4,8-dien-2-yl]octatriaconta-14,17,20,23,26,29,32,35-octaenamide?

(14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z)-N-[(4E,8E)-1,3-dihydroxytetradeca-4,8-dien-2-yl]octatriaconta-14,17,20,23,26,29,32,35-octaenamide has a molecular weight of 772.26 g/mol, XLogP of 14.57, 39 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z)-N-[(4E,8E)-1,3-dihydroxytetradeca-4,8-dien-2-yl]octatriaconta-14,17,20,23,26,29,32,35-octaenamide is sourced from PubChem (CID 164501204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).