(5E,8E,11E,14E)-N-[(2S,3R,4E,6E)-1,3-dihydroxytetradeca-4,6-dien-2-yl]tetracosa-5,8,11,14-tetraenamide

C38H65NO3 — CID 134784927

About (5E,8E,11E,14E)-N-[(2S,3R,4E,6E)-1,3-dihydroxytetradeca-4,6-dien-2-yl]tetracosa-5,8,11,14-tetraenamide

(5E,8E,11E,14E)-N-[(2S,3R,4E,6E)-1,3-dihydroxytetradeca-4,6-dien-2-yl]tetracosa-5,8,11,14-tetraenamide (PubChem CID 134784927) has the molecular formula C38H65NO3 and a molecular weight of 583.94 g/mol. Its IUPAC name is (5E,8E,11E,14E)-N-[(2S,3R,4E,6E)-1,3-dihydroxytetradeca-4,6-dien-2-yl]tetracosa-5,8,11,14-tetraenamide.

Molecular Properties

• Compound Name: (5E,8E,11E,14E)-N-[(2S,3R,4E,6E)-1,3-dihydroxytetradeca-4,6-dien-2-yl]tetracosa-5,8,11,14-tetraenamide
• PubChem CID: 134784927
• Molecular Formula: C38H65NO3
• Molecular Weight: 583.94 g/mol
• Exact Mass: 583.50
• IUPAC Name: (5E,8E,11E,14E)-N-[(2S,3R,4E,6E)-1,3-dihydroxytetradeca-4,6-dien-2-yl]tetracosa-5,8,11,14-tetraenamide
• SMILES: CCCCCCC/C=C/C=C/[C@@H](O)[C@H](CO)NC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCCCCCC
• InChI: InChI=1S/C38H65NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-12-10-8-6-4-2/h16-17,19-20,22-23,26-29,31,33,36-37,40-41H,3-15,18,21,24-25,30,32,34-35H2,1-2H3,(H,39,42)/b17-16+,20-19+,23-22+,28-26+,29-27+,33-31+/t36-,37+/m0/s1
• InChIKey: ZONNPNQFBNMXIT-JVBJFGLFSA-N
• XLogP: 10.00
• TPSA: 69.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 29
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.94
LogP ≤ 5	10.00
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5E,8E,11E,14E)-N-[(2S,3R,4E,6E)-1,3-dihydroxytetradeca-4,6-dien-2-yl]tetracosa-5,8,11,14-tetraenamide?

The IUPAC name of (5E,8E,11E,14E)-N-[(2S,3R,4E,6E)-1,3-dihydroxytetradeca-4,6-dien-2-yl]tetracosa-5,8,11,14-tetraenamide (CID 134784927) is (5E,8E,11E,14E)-N-[(2S,3R,4E,6E)-1,3-dihydroxytetradeca-4,6-dien-2-yl]tetracosa-5,8,11,14-tetraenamide.

What is the SMILES notation for (5E,8E,11E,14E)-N-[(2S,3R,4E,6E)-1,3-dihydroxytetradeca-4,6-dien-2-yl]tetracosa-5,8,11,14-tetraenamide?

The canonical SMILES for (5E,8E,11E,14E)-N-[(2S,3R,4E,6E)-1,3-dihydroxytetradeca-4,6-dien-2-yl]tetracosa-5,8,11,14-tetraenamide is CCCCCCC/C=C/C=C/[C@@H](O)[C@H](CO)NC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCCCCCC.

What is the InChIKey of (5E,8E,11E,14E)-N-[(2S,3R,4E,6E)-1,3-dihydroxytetradeca-4,6-dien-2-yl]tetracosa-5,8,11,14-tetraenamide?

The InChIKey is ZONNPNQFBNMXIT-JVBJFGLFSA-N. The full InChI is InChI=1S/C38H65NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-12-10-8-6-4-2/h16-17,19-20,22-23,26-29,31,33,36-37,40-41H,3-15,18,21,24-25,30,32,34-35H2,1-2H3,(H,39,42)/b17-16+,20-19+,23-22+,28-26+,29-27+,33-31+/t36-,37+/m0/s1.

What are the key properties of (5E,8E,11E,14E)-N-[(2S,3R,4E,6E)-1,3-dihydroxytetradeca-4,6-dien-2-yl]tetracosa-5,8,11,14-tetraenamide?

(5E,8E,11E,14E)-N-[(2S,3R,4E,6E)-1,3-dihydroxytetradeca-4,6-dien-2-yl]tetracosa-5,8,11,14-tetraenamide has a molecular weight of 583.94 g/mol, XLogP of 10.00, 29 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5E,8E,11E,14E)-N-[(2S,3R,4E,6E)-1,3-dihydroxytetradeca-4,6-dien-2-yl]tetracosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 134784927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).