(16Z,19Z,22Z,25Z,27E,29S,31Z)-29-hydroxy-N-oxotetratriaconta-16,19,22,25,27,31-hexaenamide

C34H55NO3 — CID 162756964

About (16Z,19Z,22Z,25Z,27E,29S,31Z)-29-hydroxy-N-oxotetratriaconta-16,19,22,25,27,31-hexaenamide

(16Z,19Z,22Z,25Z,27E,29S,31Z)-29-hydroxy-N-oxotetratriaconta-16,19,22,25,27,31-hexaenamide (PubChem CID 162756964) has the molecular formula C34H55NO3 and a molecular weight of 525.82 g/mol. Its IUPAC name is (16Z,19Z,22Z,25Z,27E,29S,31Z)-29-hydroxy-N-oxotetratriaconta-16,19,22,25,27,31-hexaenamide.

Molecular Properties

• Compound Name: (16Z,19Z,22Z,25Z,27E,29S,31Z)-29-hydroxy-N-oxotetratriaconta-16,19,22,25,27,31-hexaenamide
• PubChem CID: 162756964
• Molecular Formula: C34H55NO3
• Molecular Weight: 525.82 g/mol
• Exact Mass: 525.42
• IUPAC Name: (16Z,19Z,22Z,25Z,27E,29S,31Z)-29-hydroxy-N-oxotetratriaconta-16,19,22,25,27,31-hexaenamide
• SMILES: CC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=O)N=O
• InChI: InChI=1S/C34H55NO3/c1-2-3-27-30-33(36)31-28-25-23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26-29-32-34(37)35-38/h3,5,7,11,13,17,19,23,25,27-28,31,33,36H,2,4,6,8-10,12,14-16,18,20-22,24,26,29-30,32H2,1H3/b7-5-,13-11-,19-17-,25-23-,27-3-,31-28+/t33-/m0/s1
• InChIKey: MDZLLXGZJNFBHY-RGOKUNBWSA-N
• XLogP: 10.41
• TPSA: 66.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 26
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.82
LogP ≤ 5	10.41
H-Bond Donors ≤ 5	1
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 (16Z,19Z,22Z,25Z,27E,29S,31Z)-29-hydroxy-N-oxotetratriaconta-16,19,22,25,27,31-hexaenamide?

The IUPAC name of (16Z,19Z,22Z,25Z,27E,29S,31Z)-29-hydroxy-N-oxotetratriaconta-16,19,22,25,27,31-hexaenamide (CID 162756964) is (16Z,19Z,22Z,25Z,27E,29S,31Z)-29-hydroxy-N-oxotetratriaconta-16,19,22,25,27,31-hexaenamide.

What is the SMILES notation for (16Z,19Z,22Z,25Z,27E,29S,31Z)-29-hydroxy-N-oxotetratriaconta-16,19,22,25,27,31-hexaenamide?

The canonical SMILES for (16Z,19Z,22Z,25Z,27E,29S,31Z)-29-hydroxy-N-oxotetratriaconta-16,19,22,25,27,31-hexaenamide is CC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=O)N=O.

What is the InChIKey of (16Z,19Z,22Z,25Z,27E,29S,31Z)-29-hydroxy-N-oxotetratriaconta-16,19,22,25,27,31-hexaenamide?

The InChIKey is MDZLLXGZJNFBHY-RGOKUNBWSA-N. The full InChI is InChI=1S/C34H55NO3/c1-2-3-27-30-33(36)31-28-25-23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26-29-32-34(37)35-38/h3,5,7,11,13,17,19,23,25,27-28,31,33,36H,2,4,6,8-10,12,14-16,18,20-22,24,26,29-30,32H2,1H3/b7-5-,13-11-,19-17-,25-23-,27-3-,31-28+/t33-/m0/s1.

What are the key properties of (16Z,19Z,22Z,25Z,27E,29S,31Z)-29-hydroxy-N-oxotetratriaconta-16,19,22,25,27,31-hexaenamide?

(16Z,19Z,22Z,25Z,27E,29S,31Z)-29-hydroxy-N-oxotetratriaconta-16,19,22,25,27,31-hexaenamide has a molecular weight of 525.82 g/mol, XLogP of 10.41, 26 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (16Z,19Z,22Z,25Z,27E,29S,31Z)-29-hydroxy-N-oxotetratriaconta-16,19,22,25,27,31-hexaenamide is sourced from PubChem (CID 162756964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).