(9Z,12Z)-N-benzyloctadeca-9,12-dienamide

C25H39NO — CID 68742556

IUPAC(9Z,12Z)-N-benzyloctadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)NCc1ccccc1
InChIInChI=1S/C25H39NO/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/h6-7,9-10,16-18,20-21H,2-5,8,11-15,19,22-23H2,1H3,(H,26,27)/b7-6-,10-9-
InChIKeyYJWLCIANOBCQGW-HZJYTTRNSA-N
MW369.59 g/mol
LogP7.12
Rot. Bonds16

About (9Z,12Z)-N-benzyloctadeca-9,12-dienamide

(9Z,12Z)-N-benzyloctadeca-9,12-dienamide (PubChem CID 68742556) has the molecular formula C25H39NO and a molecular weight of 369.59 g/mol. Its IUPAC name is (9Z,12Z)-N-benzyloctadeca-9,12-dienamide.

Molecular Properties

Compound Name(9Z,12Z)-N-benzyloctadeca-9,12-dienamide
PubChem CID68742556
Molecular FormulaC25H39NO
Molecular Weight369.59 g/mol
Exact Mass369.30
IUPAC Name(9Z,12Z)-N-benzyloctadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)NCc1ccccc1
InChIInChI=1S/C25H39NO/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/h6-7,9-10,16-18,20-21H,2-5,8,11-15,19,22-23H2,1H3,(H,26,27)/b7-6-,10-9-
InChIKeyYJWLCIANOBCQGW-HZJYTTRNSA-N
XLogP7.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.59
LogP ≤ 57.12
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 (9Z,12Z)-N-benzyloctadeca-9,12-dienamide?
The IUPAC name of (9Z,12Z)-N-benzyloctadeca-9,12-dienamide (CID 68742556) is (9Z,12Z)-N-benzyloctadeca-9,12-dienamide.
What is the SMILES notation for (9Z,12Z)-N-benzyloctadeca-9,12-dienamide?
The canonical SMILES for (9Z,12Z)-N-benzyloctadeca-9,12-dienamide is CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCc1ccccc1.
What is the InChIKey of (9Z,12Z)-N-benzyloctadeca-9,12-dienamide?
The InChIKey is YJWLCIANOBCQGW-HZJYTTRNSA-N. The full InChI is InChI=1S/C25H39NO/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/h6-7,9-10,16-18,20-21H,2-5,8,11-15,19,22-23H2,1H3,(H,26,27)/b7-6-,10-9-.
What are the key properties of (9Z,12Z)-N-benzyloctadeca-9,12-dienamide?
(9Z,12Z)-N-benzyloctadeca-9,12-dienamide has a molecular weight of 369.59 g/mol, XLogP of 7.12, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z)-N-benzyloctadeca-9,12-dienamide is sourced from PubChem (CID 68742556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).