(5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide

C29H47NO — CID 118941241

About (5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide (PubChem CID 118941241) has the molecular formula C29H47NO and a molecular weight of 425.70 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide.

Molecular Properties

• Compound Name: (5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide
• PubChem CID: 118941241
• Molecular Formula: C29H47NO
• Molecular Weight: 425.70 g/mol
• Exact Mass: 425.37
• IUPAC Name: (5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide
• SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC12CC(C(C)(C)C)(C1)C2
• InChI: InChI=1S/C29H47NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(31)30-29-23-28(24-29,25-29)27(2,3)4/h9-10,12-13,15-16,18-19H,5-8,11,14,17,20-25H2,1-4H3,(H,30,31)/b10-9-,13-12-,16-15-,19-18-
• InChIKey: GCQJQJMLVXERMO-SNPVRQPZSA-N
• XLogP: 8.22
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 15
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.70
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

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 (5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide?

The IUPAC name of (5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide (CID 118941241) is (5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide.

What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide?

The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC12CC(C(C)(C)C)(C1)C2.

What is the InChIKey of (5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide?

The InChIKey is GCQJQJMLVXERMO-SNPVRQPZSA-N. The full InChI is InChI=1S/C29H47NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(31)30-29-23-28(24-29,25-29)27(2,3)4/h9-10,12-13,15-16,18-19H,5-8,11,14,17,20-25H2,1-4H3,(H,30,31)/b10-9-,13-12-,16-15-,19-18-.

What are the key properties of (5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide?

(5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide has a molecular weight of 425.70 g/mol, XLogP of 8.22, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 118941241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).