(2E,4E,8Z,10E,12E)-N-(2-methylprop-2-enyl)tetradeca-2,4,8,10,12-pentaenamide

C18H25NO — CID 5316465

IUPAC(2E,4E,8Z,10E,12E)-N-(2-methylprop-2-enyl)tetradeca-2,4,8,10,12-pentaenamide
SMILESC=C(C)CNC(=O)/C=C/C=C/CC/C=C\C=C\C=C\C
InChIInChI=1S/C18H25NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-9,12-15H,2,10-11,16H2,1,3H3,(H,19,20)/b5-4+,7-6+,9-8-,13-12+,15-14+
InChIKeyWNHIJVVUHZCVLZ-JDXPBYPHSA-N
MW271.40 g/mol
LogP4.26
Rot. Bonds9

About (2E,4E,8Z,10E,12E)-N-(2-methylprop-2-enyl)tetradeca-2,4,8,10,12-pentaenamide

(2E,4E,8Z,10E,12E)-N-(2-methylprop-2-enyl)tetradeca-2,4,8,10,12-pentaenamide (PubChem CID 5316465) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (2E,4E,8Z,10E,12E)-N-(2-methylprop-2-enyl)tetradeca-2,4,8,10,12-pentaenamide.

Molecular Properties

Compound Name(2E,4E,8Z,10E,12E)-N-(2-methylprop-2-enyl)tetradeca-2,4,8,10,12-pentaenamide
PubChem CID5316465
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(2E,4E,8Z,10E,12E)-N-(2-methylprop-2-enyl)tetradeca-2,4,8,10,12-pentaenamide
SMILESC=C(C)CNC(=O)/C=C/C=C/CC/C=C\C=C\C=C\C
InChIInChI=1S/C18H25NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-9,12-15H,2,10-11,16H2,1,3H3,(H,19,20)/b5-4+,7-6+,9-8-,13-12+,15-14+
InChIKeyWNHIJVVUHZCVLZ-JDXPBYPHSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.26
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E,8Z,10E,12E)-N-(2-methylprop-2-enyl)tetradeca-2,4,8,10,12-pentaenamide with MolForge

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Related Compounds

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CID 5318516
Spilanthol
CID 5353001
N-Isobutyl-2,4,8,10,12-tetradecapentaenamide
CID 5318518
Hydroxy-Gamma-Isosanshool
CID 14135316
Dodecatetraenoic acid isobutylamide, (2E,4E)-
CID 6443006
(E,E)-2,4-Decadienoic isobutylamide
CID 11368078
Pipericine
CID 9974234
Hydroxy-Alpha-Sanshool
CID 10084135
Hydroxy-Beta-Sanshool
CID 10220912
Hydroxy-Gamma-Sanshool
CID 14135317
N-Ethylnona-2,6-dienamide
CID 57351458
(2E,6Z)-N-ethylnona-2,6-dienamide
CID 11309884

Frequently Asked Questions

What is the IUPAC name of (2E,4E,8Z,10E,12E)-N-(2-methylprop-2-enyl)tetradeca-2,4,8,10,12-pentaenamide?
The IUPAC name of (2E,4E,8Z,10E,12E)-N-(2-methylprop-2-enyl)tetradeca-2,4,8,10,12-pentaenamide (CID 5316465) is (2E,4E,8Z,10E,12E)-N-(2-methylprop-2-enyl)tetradeca-2,4,8,10,12-pentaenamide.
What is the SMILES notation for (2E,4E,8Z,10E,12E)-N-(2-methylprop-2-enyl)tetradeca-2,4,8,10,12-pentaenamide?
The canonical SMILES for (2E,4E,8Z,10E,12E)-N-(2-methylprop-2-enyl)tetradeca-2,4,8,10,12-pentaenamide is C=C(C)CNC(=O)/C=C/C=C/CC/C=C\C=C\C=C\C.
What is the InChIKey of (2E,4E,8Z,10E,12E)-N-(2-methylprop-2-enyl)tetradeca-2,4,8,10,12-pentaenamide?
The InChIKey is WNHIJVVUHZCVLZ-JDXPBYPHSA-N. The full InChI is InChI=1S/C18H25NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-9,12-15H,2,10-11,16H2,1,3H3,(H,19,20)/b5-4+,7-6+,9-8-,13-12+,15-14+.
What are the key properties of (2E,4E,8Z,10E,12E)-N-(2-methylprop-2-enyl)tetradeca-2,4,8,10,12-pentaenamide?
(2E,4E,8Z,10E,12E)-N-(2-methylprop-2-enyl)tetradeca-2,4,8,10,12-pentaenamide has a molecular weight of 271.40 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8Z,10E,12E)-N-(2-methylprop-2-enyl)tetradeca-2,4,8,10,12-pentaenamide is sourced from PubChem (CID 5316465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).