(15Z,18Z)-N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]triaconta-15,18-dienamide

C48H89NO3 — CID 138156964

About (15Z,18Z)-N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]triaconta-15,18-dienamide

(15Z,18Z)-N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]triaconta-15,18-dienamide (PubChem CID 138156964) has the molecular formula C48H89NO3 and a molecular weight of 728.24 g/mol. Its IUPAC name is (15Z,18Z)-N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]triaconta-15,18-dienamide.

Molecular Properties

• Compound Name: (15Z,18Z)-N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]triaconta-15,18-dienamide
• PubChem CID: 138156964
• Molecular Formula: C48H89NO3
• Molecular Weight: 728.24 g/mol
• Exact Mass: 727.68
• IUPAC Name: (15Z,18Z)-N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]triaconta-15,18-dienamide
• SMILES: CCCCCCCCC/C=C/CC/C=C/C(O)C(CO)NC(=O)CCCCCCCCCCCCC/C=C\C/C=C\CCCCCCCCCCC
• InChI: InChI=1S/C48H89NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-48(52)49-46(45-50)47(51)43-41-39-37-35-33-31-16-14-12-10-8-6-4-2/h20-21,23-24,33,35,41,43,46-47,50-51H,3-19,22,25-32,34,36-40,42,44-45H2,1-2H3,(H,49,52)/b21-20-,24-23-,35-33+,43-41+
• InChIKey: FXOSKDZJKJDOPQ-AEKOCVBHSA-N
• XLogP: 14.35
• TPSA: 69.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 41
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	728.24
LogP ≤ 5	14.35
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 (15Z,18Z)-N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]triaconta-15,18-dienamide?

The IUPAC name of (15Z,18Z)-N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]triaconta-15,18-dienamide (CID 138156964) is (15Z,18Z)-N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]triaconta-15,18-dienamide.

What is the SMILES notation for (15Z,18Z)-N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]triaconta-15,18-dienamide?

The canonical SMILES for (15Z,18Z)-N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]triaconta-15,18-dienamide is CCCCCCCCC/C=C/CC/C=C/C(O)C(CO)NC(=O)CCCCCCCCCCCCC/C=C\C/C=C\CCCCCCCCCCC.

What is the InChIKey of (15Z,18Z)-N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]triaconta-15,18-dienamide?

The InChIKey is FXOSKDZJKJDOPQ-AEKOCVBHSA-N. The full InChI is InChI=1S/C48H89NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-48(52)49-46(45-50)47(51)43-41-39-37-35-33-31-16-14-12-10-8-6-4-2/h20-21,23-24,33,35,41,43,46-47,50-51H,3-19,22,25-32,34,36-40,42,44-45H2,1-2H3,(H,49,52)/b21-20-,24-23-,35-33+,43-41+.

What are the key properties of (15Z,18Z)-N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]triaconta-15,18-dienamide?

(15Z,18Z)-N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]triaconta-15,18-dienamide has a molecular weight of 728.24 g/mol, XLogP of 14.35, 41 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (15Z,18Z)-N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]triaconta-15,18-dienamide is sourced from PubChem (CID 138156964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).