(9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide

C26H39NO — CID 155618148

IUPAC(9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCc1ccccc1
InChIInChI=1S/C26H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(28)27-24-23-25-20-17-16-18-21-25/h3-4,6-7,9-10,16-18,20-21H,2,5,8,11-15,19,22-24H2,1H3,(H,27,28)/b4-3-,7-6-,10-9-
InChIKeyNUUWMADFOQFENP-PDBXOOCHSA-N
MW381.60 g/mol
LogP6.93
Rot. Bonds16

About (9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide

(9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide (PubChem CID 155618148) has the molecular formula C26H39NO and a molecular weight of 381.60 g/mol. Its IUPAC name is (9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide.

Molecular Properties

Compound Name(9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide
PubChem CID155618148
Molecular FormulaC26H39NO
Molecular Weight381.60 g/mol
Exact Mass381.30
IUPAC Name(9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCc1ccccc1
InChIInChI=1S/C26H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(28)27-24-23-25-20-17-16-18-21-25/h3-4,6-7,9-10,16-18,20-21H,2,5,8,11-15,19,22-24H2,1H3,(H,27,28)/b4-3-,7-6-,10-9-
InChIKeyNUUWMADFOQFENP-PDBXOOCHSA-N
XLogP6.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.60
LogP ≤ 56.93
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,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide?
The IUPAC name of (9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide (CID 155618148) is (9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide.
What is the SMILES notation for (9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide?
The canonical SMILES for (9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide is CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCc1ccccc1.
What is the InChIKey of (9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide?
The InChIKey is NUUWMADFOQFENP-PDBXOOCHSA-N. The full InChI is InChI=1S/C26H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(28)27-24-23-25-20-17-16-18-21-25/h3-4,6-7,9-10,16-18,20-21H,2,5,8,11-15,19,22-24H2,1H3,(H,27,28)/b4-3-,7-6-,10-9-.
What are the key properties of (9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide?
(9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide has a molecular weight of 381.60 g/mol, XLogP of 6.93, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide is sourced from PubChem (CID 155618148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).