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

C25H39NO — CID 118941242

IUPAC(5Z,8Z,11Z,14Z)-N-(1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC12CC(C1)C2
InChIInChI=1S/C25H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(27)26-25-20-23(21-25)22-25/h6-7,9-10,12-13,15-16,23H,2-5,8,11,14,17-22H2,1H3,(H,26,27)/b7-6-,10-9-,13-12-,16-15-
InChIKeyJRMHVFYGJMCGFK-DOFZRALJSA-N
MW369.59 g/mol
LogP6.80
Rot. Bonds15

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

(5Z,8Z,11Z,14Z)-N-(1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide (PubChem CID 118941242) has the molecular formula C25H39NO and a molecular weight of 369.59 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide
PubChem CID118941242
Molecular FormulaC25H39NO
Molecular Weight369.59 g/mol
Exact Mass369.30
IUPAC Name(5Z,8Z,11Z,14Z)-N-(1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC12CC(C1)C2
InChIInChI=1S/C25H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(27)26-25-20-23(21-25)22-25/h6-7,9-10,12-13,15-16,23H,2-5,8,11,14,17-22H2,1H3,(H,26,27)/b7-6-,10-9-,13-12-,16-15-
InChIKeyJRMHVFYGJMCGFK-DOFZRALJSA-N
XLogP6.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.59
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-N-(1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide (CID 118941242) is (5Z,8Z,11Z,14Z)-N-(1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(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(C1)C2.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-(1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide?
The InChIKey is JRMHVFYGJMCGFK-DOFZRALJSA-N. The full InChI is InChI=1S/C25H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(27)26-25-20-23(21-25)22-25/h6-7,9-10,12-13,15-16,23H,2-5,8,11,14,17-22H2,1H3,(H,26,27)/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-(1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide has a molecular weight of 369.59 g/mol, XLogP of 6.80, 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-(1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 118941242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).