(5Z,8Z,11Z,14Z)-20-azido-N-cyclopropylicosa-5,8,11,14-tetraenamide

C23H36N4O — CID 11682460

IUPAC(5Z,8Z,11Z,14Z)-20-azido-N-cyclopropylicosa-5,8,11,14-tetraenamide
SMILES[N-]=[N+]=NCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC1CC1
InChIInChI=1S/C23H36N4O/c24-27-25-21-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-23(28)26-22-19-20-22/h1,3-4,6-7,9-10,12,22H,2,5,8,11,13-21H2,(H,26,28)/b3-1-,6-4-,9-7-,12-10-
InChIKeyAPVKIRJJFMYWIO-DTLRTWKJSA-N
MW384.57 g/mol
LogP6.70
Rot. Bonds17

About (5Z,8Z,11Z,14Z)-20-azido-N-cyclopropylicosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-20-azido-N-cyclopropylicosa-5,8,11,14-tetraenamide (PubChem CID 11682460) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-20-azido-N-cyclopropylicosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-20-azido-N-cyclopropylicosa-5,8,11,14-tetraenamide
PubChem CID11682460
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC Name(5Z,8Z,11Z,14Z)-20-azido-N-cyclopropylicosa-5,8,11,14-tetraenamide
SMILES[N-]=[N+]=NCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC1CC1
InChIInChI=1S/C23H36N4O/c24-27-25-21-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-23(28)26-22-19-20-22/h1,3-4,6-7,9-10,12,22H,2,5,8,11,13-21H2,(H,26,28)/b3-1-,6-4-,9-7-,12-10-
InChIKeyAPVKIRJJFMYWIO-DTLRTWKJSA-N
XLogP6.70
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.57
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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)-20-azido-N-cyclopropylicosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-20-azido-N-cyclopropylicosa-5,8,11,14-tetraenamide (CID 11682460) is (5Z,8Z,11Z,14Z)-20-azido-N-cyclopropylicosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-20-azido-N-cyclopropylicosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-20-azido-N-cyclopropylicosa-5,8,11,14-tetraenamide is [N-]=[N+]=NCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC1CC1.
What is the InChIKey of (5Z,8Z,11Z,14Z)-20-azido-N-cyclopropylicosa-5,8,11,14-tetraenamide?
The InChIKey is APVKIRJJFMYWIO-DTLRTWKJSA-N. The full InChI is InChI=1S/C23H36N4O/c24-27-25-21-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-23(28)26-22-19-20-22/h1,3-4,6-7,9-10,12,22H,2,5,8,11,13-21H2,(H,26,28)/b3-1-,6-4-,9-7-,12-10-.
What are the key properties of (5Z,8Z,11Z,14Z)-20-azido-N-cyclopropylicosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-20-azido-N-cyclopropylicosa-5,8,11,14-tetraenamide has a molecular weight of 384.57 g/mol, XLogP of 6.70, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-20-azido-N-cyclopropylicosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 11682460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).