N-ethenyloctadeca-9,12,15-trienamide

C20H33NO — CID 90956698

IUPACN-ethenyloctadeca-9,12,15-trienamide
SMILESC=CNC(=O)CCCCCCCC=CCC=CCC=CCC
InChIInChI=1S/C20H33NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21-4-2/h4-6,8-9,11-12H,2-3,7,10,13-19H2,1H3,(H,21,22)
InChIKeyGHEQNHXFNIKANL-UHFFFAOYSA-N
MW303.49 g/mol
LogP5.84
Rot. Bonds14

About N-ethenyloctadeca-9,12,15-trienamide

N-ethenyloctadeca-9,12,15-trienamide (PubChem CID 90956698) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is N-ethenyloctadeca-9,12,15-trienamide.

Molecular Properties

Compound NameN-ethenyloctadeca-9,12,15-trienamide
PubChem CID90956698
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC NameN-ethenyloctadeca-9,12,15-trienamide
SMILESC=CNC(=O)CCCCCCCC=CCC=CCC=CCC
InChIInChI=1S/C20H33NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21-4-2/h4-6,8-9,11-12H,2-3,7,10,13-19H2,1H3,(H,21,22)
InChIKeyGHEQNHXFNIKANL-UHFFFAOYSA-N
XLogP5.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.84
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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Related Compounds

N-silyloctadeca-9,12,15-trienamide
CID 123430456
CID 87067082
CID 87067082
icosa-8,14,17-trienoic acid
CID 54189424
octacosa-10,13,16,19,22,25-hexaenoic acid
CID 75955160
henicosa-15,18-dienoic acid
CID 169277369
(12Z,15Z)-octadeca-12,15-dienoic acid
CID 5312453
(10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-10,13,16,19,22,25-hexaenoic acid
CID 52921814
(19Z,22Z,25Z,28Z,31Z)-tetratriaconta-19,22,25,28,31-pentaenoic acid
CID 14753668
(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18,21-pentaenoic acid
CID 87220855
(8Z,11Z,14Z,17Z,20Z,23Z,26Z,29Z)-dotriaconta-8,11,14,17,20,23,26,29-octaenoic acid
CID 165203838
methyl (13Z,16E,19E)-docosa-13,16,19-trienoate
CID 53249236
methyl (10E,13E,16E,19E)-docosa-10,13,16,19-tetraenoate
CID 10472831

Frequently Asked Questions

What is the IUPAC name of N-ethenyloctadeca-9,12,15-trienamide?
The IUPAC name of N-ethenyloctadeca-9,12,15-trienamide (CID 90956698) is N-ethenyloctadeca-9,12,15-trienamide.
What is the SMILES notation for N-ethenyloctadeca-9,12,15-trienamide?
The canonical SMILES for N-ethenyloctadeca-9,12,15-trienamide is C=CNC(=O)CCCCCCCC=CCC=CCC=CCC.
What is the InChIKey of N-ethenyloctadeca-9,12,15-trienamide?
The InChIKey is GHEQNHXFNIKANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21-4-2/h4-6,8-9,11-12H,2-3,7,10,13-19H2,1H3,(H,21,22).
What are the key properties of N-ethenyloctadeca-9,12,15-trienamide?
N-ethenyloctadeca-9,12,15-trienamide has a molecular weight of 303.49 g/mol, XLogP of 5.84, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyloctadeca-9,12,15-trienamide is sourced from PubChem (CID 90956698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).