(9E,12E,15E)-octadeca-9,12,15-trienamide

C18H31NO — CID 6365786

IUPAC(9E,12E,15E)-octadeca-9,12,15-trienamide
SMILESCC/C=C/C/C=C/C/C=C/CCCCCCCC(N)=O
InChIInChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H2,19,20)/b4-3+,7-6+,10-9+
InChIKeyNHUOWASJBBPFMB-IUQGRGSQSA-N
MW277.45 g/mol
LogP5.06
Rot. Bonds13

About (9E,12E,15E)-octadeca-9,12,15-trienamide

(9E,12E,15E)-octadeca-9,12,15-trienamide (PubChem CID 6365786) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is (9E,12E,15E)-octadeca-9,12,15-trienamide.

Molecular Properties

Compound Name(9E,12E,15E)-octadeca-9,12,15-trienamide
PubChem CID6365786
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name(9E,12E,15E)-octadeca-9,12,15-trienamide
SMILESCC/C=C/C/C=C/C/C=C/CCCCCCCC(N)=O
InChIInChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H2,19,20)/b4-3+,7-6+,10-9+
InChIKeyNHUOWASJBBPFMB-IUQGRGSQSA-N
XLogP5.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.45
LogP ≤ 55.06
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,15E)-octadeca-9,12,15-trienamide?
The IUPAC name of (9E,12E,15E)-octadeca-9,12,15-trienamide (CID 6365786) is (9E,12E,15E)-octadeca-9,12,15-trienamide.
What is the SMILES notation for (9E,12E,15E)-octadeca-9,12,15-trienamide?
The canonical SMILES for (9E,12E,15E)-octadeca-9,12,15-trienamide is CC/C=C/C/C=C/C/C=C/CCCCCCCC(N)=O.
What is the InChIKey of (9E,12E,15E)-octadeca-9,12,15-trienamide?
The InChIKey is NHUOWASJBBPFMB-IUQGRGSQSA-N. The full InChI is InChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H2,19,20)/b4-3+,7-6+,10-9+.
What are the key properties of (9E,12E,15E)-octadeca-9,12,15-trienamide?
(9E,12E,15E)-octadeca-9,12,15-trienamide has a molecular weight of 277.45 g/mol, XLogP of 5.06, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,12E,15E)-octadeca-9,12,15-trienamide is sourced from PubChem (CID 6365786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).