(5Z,8Z,11Z,14Z,17Z)-N-benzylicosa-5,8,11,14,17-pentaenamide

C27H37NO — CID 162516979

IUPAC(5Z,8Z,11Z,14Z,17Z)-N-benzylicosa-5,8,11,14,17-pentaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCc1ccccc1
InChIInChI=1S/C27H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27(29)28-25-26-22-19-18-20-23-26/h3-4,6-7,9-10,12-13,15-16,18-20,22-23H,2,5,8,11,14,17,21,24-25H2,1H3,(H,28,29)/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeyVIMYRMWXQWTCCQ-JLNKQSITSA-N
MW391.60 g/mol
LogP7.22
Rot. Bonds15

About (5Z,8Z,11Z,14Z,17Z)-N-benzylicosa-5,8,11,14,17-pentaenamide

(5Z,8Z,11Z,14Z,17Z)-N-benzylicosa-5,8,11,14,17-pentaenamide (PubChem CID 162516979) has the molecular formula C27H37NO and a molecular weight of 391.60 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z,17Z)-N-benzylicosa-5,8,11,14,17-pentaenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z,17Z)-N-benzylicosa-5,8,11,14,17-pentaenamide
PubChem CID162516979
Molecular FormulaC27H37NO
Molecular Weight391.60 g/mol
Exact Mass391.29
IUPAC Name(5Z,8Z,11Z,14Z,17Z)-N-benzylicosa-5,8,11,14,17-pentaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCc1ccccc1
InChIInChI=1S/C27H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27(29)28-25-26-22-19-18-20-23-26/h3-4,6-7,9-10,12-13,15-16,18-20,22-23H,2,5,8,11,14,17,21,24-25H2,1H3,(H,28,29)/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeyVIMYRMWXQWTCCQ-JLNKQSITSA-N
XLogP7.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.60
LogP ≤ 57.22
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'}

Analyze (5Z,8Z,11Z,14Z,17Z)-N-benzylicosa-5,8,11,14,17-pentaenamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z,17Z)-N-benzylicosa-5,8,11,14,17-pentaenamide?
The IUPAC name of (5Z,8Z,11Z,14Z,17Z)-N-benzylicosa-5,8,11,14,17-pentaenamide (CID 162516979) is (5Z,8Z,11Z,14Z,17Z)-N-benzylicosa-5,8,11,14,17-pentaenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z,17Z)-N-benzylicosa-5,8,11,14,17-pentaenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z,17Z)-N-benzylicosa-5,8,11,14,17-pentaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCc1ccccc1.
What is the InChIKey of (5Z,8Z,11Z,14Z,17Z)-N-benzylicosa-5,8,11,14,17-pentaenamide?
The InChIKey is VIMYRMWXQWTCCQ-JLNKQSITSA-N. The full InChI is InChI=1S/C27H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27(29)28-25-26-22-19-18-20-23-26/h3-4,6-7,9-10,12-13,15-16,18-20,22-23H,2,5,8,11,14,17,21,24-25H2,1H3,(H,28,29)/b4-3-,7-6-,10-9-,13-12-,16-15-.
What are the key properties of (5Z,8Z,11Z,14Z,17Z)-N-benzylicosa-5,8,11,14,17-pentaenamide?
(5Z,8Z,11Z,14Z,17Z)-N-benzylicosa-5,8,11,14,17-pentaenamide has a molecular weight of 391.60 g/mol, XLogP of 7.22, 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,17Z)-N-benzylicosa-5,8,11,14,17-pentaenamide is sourced from PubChem (CID 162516979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).