(9E,12E)-octadeca-9,12-dienamide

C18H33NO — CID 5353723

IUPAC(9E,12E)-octadeca-9,12-dienamide
SMILESCCCCC/C=C/C/C=C/CCCCCCCC(N)=O
InChIInChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)/b7-6+,10-9+
InChIKeySFIHQZFZMWZOJV-AVQMFFATSA-N
MW279.47 g/mol
LogP5.29
Rot. Bonds14

About (9E,12E)-octadeca-9,12-dienamide

(9E,12E)-octadeca-9,12-dienamide (PubChem CID 5353723) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is (9E,12E)-octadeca-9,12-dienamide.

Molecular Properties

Compound Name(9E,12E)-octadeca-9,12-dienamide
PubChem CID5353723
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name(9E,12E)-octadeca-9,12-dienamide
SMILESCCCCC/C=C/C/C=C/CCCCCCCC(N)=O
InChIInChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)/b7-6+,10-9+
InChIKeySFIHQZFZMWZOJV-AVQMFFATSA-N
XLogP5.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.47
LogP ≤ 55.29
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 (9E,12E)-octadeca-9,12-dienamide?
The IUPAC name of (9E,12E)-octadeca-9,12-dienamide (CID 5353723) is (9E,12E)-octadeca-9,12-dienamide.
What is the SMILES notation for (9E,12E)-octadeca-9,12-dienamide?
The canonical SMILES for (9E,12E)-octadeca-9,12-dienamide is CCCCC/C=C/C/C=C/CCCCCCCC(N)=O.
What is the InChIKey of (9E,12E)-octadeca-9,12-dienamide?
The InChIKey is SFIHQZFZMWZOJV-AVQMFFATSA-N. The full InChI is InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)/b7-6+,10-9+.
What are the key properties of (9E,12E)-octadeca-9,12-dienamide?
(9E,12E)-octadeca-9,12-dienamide has a molecular weight of 279.47 g/mol, XLogP of 5.29, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,12E)-octadeca-9,12-dienamide is sourced from PubChem (CID 5353723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).