(9Z,12Z,15Z)-N-benzyloctadeca-9,12,15-trienamide

C25H37NO — CID 68741582

IUPAC(9Z,12Z,15Z)-N-benzyloctadeca-9,12,15-trienamide
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCc1ccccc1
InChIInChI=1S/C25H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h3-4,6-7,9-10,16-18,20-21H,2,5,8,11-15,19,22-23H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-
InChIKeyVCMMYRWIEZCYDK-PDBXOOCHSA-N
MW367.58 g/mol
LogP6.89
Rot. Bonds15

About (9Z,12Z,15Z)-N-benzyloctadeca-9,12,15-trienamide

(9Z,12Z,15Z)-N-benzyloctadeca-9,12,15-trienamide (PubChem CID 68741582) has the molecular formula C25H37NO and a molecular weight of 367.58 g/mol. Its IUPAC name is (9Z,12Z,15Z)-N-benzyloctadeca-9,12,15-trienamide.

Molecular Properties

Compound Name(9Z,12Z,15Z)-N-benzyloctadeca-9,12,15-trienamide
PubChem CID68741582
Molecular FormulaC25H37NO
Molecular Weight367.58 g/mol
Exact Mass367.29
IUPAC Name(9Z,12Z,15Z)-N-benzyloctadeca-9,12,15-trienamide
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCc1ccccc1
InChIInChI=1S/C25H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h3-4,6-7,9-10,16-18,20-21H,2,5,8,11-15,19,22-23H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-
InChIKeyVCMMYRWIEZCYDK-PDBXOOCHSA-N
XLogP6.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.58
LogP ≤ 56.89
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 (9Z,12Z,15Z)-N-benzyloctadeca-9,12,15-trienamide 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 (9Z,12Z,15Z)-N-benzyloctadeca-9,12,15-trienamide?
The IUPAC name of (9Z,12Z,15Z)-N-benzyloctadeca-9,12,15-trienamide (CID 68741582) is (9Z,12Z,15Z)-N-benzyloctadeca-9,12,15-trienamide.
What is the SMILES notation for (9Z,12Z,15Z)-N-benzyloctadeca-9,12,15-trienamide?
The canonical SMILES for (9Z,12Z,15Z)-N-benzyloctadeca-9,12,15-trienamide is CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCc1ccccc1.
What is the InChIKey of (9Z,12Z,15Z)-N-benzyloctadeca-9,12,15-trienamide?
The InChIKey is VCMMYRWIEZCYDK-PDBXOOCHSA-N. The full InChI is InChI=1S/C25H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h3-4,6-7,9-10,16-18,20-21H,2,5,8,11-15,19,22-23H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-.
What are the key properties of (9Z,12Z,15Z)-N-benzyloctadeca-9,12,15-trienamide?
(9Z,12Z,15Z)-N-benzyloctadeca-9,12,15-trienamide has a molecular weight of 367.58 g/mol, XLogP of 6.89, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z,15Z)-N-benzyloctadeca-9,12,15-trienamide is sourced from PubChem (CID 68741582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).