(7Z,10Z,13Z,16Z,19Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]docosa-7,10,13,16,19-pentaenamide

C36H61NO3 — CID 164503239

About (7Z,10Z,13Z,16Z,19Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]docosa-7,10,13,16,19-pentaenamide

(7Z,10Z,13Z,16Z,19Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]docosa-7,10,13,16,19-pentaenamide (PubChem CID 164503239) has the molecular formula C36H61NO3 and a molecular weight of 555.89 g/mol. Its IUPAC name is (7Z,10Z,13Z,16Z,19Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]docosa-7,10,13,16,19-pentaenamide.

Molecular Properties

• Compound Name: (7Z,10Z,13Z,16Z,19Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]docosa-7,10,13,16,19-pentaenamide
• PubChem CID: 164503239
• Molecular Formula: C36H61NO3
• Molecular Weight: 555.89 g/mol
• Exact Mass: 555.47
• IUPAC Name: (7Z,10Z,13Z,16Z,19Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]docosa-7,10,13,16,19-pentaenamide
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)NC(CO)C(O)/C=C/CCCCCCCCC
• InChI: InChI=1S/C36H61NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-12-10-8-6-4-2/h5,7,11,13,15-16,18-19,21-22,29,31,34-35,38-39H,3-4,6,8-10,12,14,17,20,23-28,30,32-33H2,1-2H3,(H,37,40)/b7-5-,13-11-,16-15-,19-18-,22-21-,31-29+
• InChIKey: ZLRHIEAAHGXMJN-DBUBSJGUSA-N
• XLogP: 9.22
• TPSA: 69.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 27
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.89
LogP ≤ 5	9.22
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 (7Z,10Z,13Z,16Z,19Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]docosa-7,10,13,16,19-pentaenamide?

The IUPAC name of (7Z,10Z,13Z,16Z,19Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]docosa-7,10,13,16,19-pentaenamide (CID 164503239) is (7Z,10Z,13Z,16Z,19Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]docosa-7,10,13,16,19-pentaenamide.

What is the SMILES notation for (7Z,10Z,13Z,16Z,19Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]docosa-7,10,13,16,19-pentaenamide?

The canonical SMILES for (7Z,10Z,13Z,16Z,19Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]docosa-7,10,13,16,19-pentaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)NC(CO)C(O)/C=C/CCCCCCCCC.

What is the InChIKey of (7Z,10Z,13Z,16Z,19Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]docosa-7,10,13,16,19-pentaenamide?

The InChIKey is ZLRHIEAAHGXMJN-DBUBSJGUSA-N. The full InChI is InChI=1S/C36H61NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-12-10-8-6-4-2/h5,7,11,13,15-16,18-19,21-22,29,31,34-35,38-39H,3-4,6,8-10,12,14,17,20,23-28,30,32-33H2,1-2H3,(H,37,40)/b7-5-,13-11-,16-15-,19-18-,22-21-,31-29+.

What are the key properties of (7Z,10Z,13Z,16Z,19Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]docosa-7,10,13,16,19-pentaenamide?

(7Z,10Z,13Z,16Z,19Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]docosa-7,10,13,16,19-pentaenamide has a molecular weight of 555.89 g/mol, XLogP of 9.22, 27 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (7Z,10Z,13Z,16Z,19Z)-N-[(E)-1,3-dihydroxytetradec-4-en-2-yl]docosa-7,10,13,16,19-pentaenamide is sourced from PubChem (CID 164503239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).