(2E,4E,8Z,10Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide

C16H25NO — CID 11413953

IUPAC(2E,4E,8Z,10Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
SMILESC/C=C\C=C/CC/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,17,18)/b5-4-,7-6-,11-10+,13-12+
InChIKeyVLGRWXYRKYWRPX-VSRLVKTQSA-N
MW247.38 g/mol
LogP3.78
Rot. Bonds8

About (2E,4E,8Z,10Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide

(2E,4E,8Z,10Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide (PubChem CID 11413953) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (2E,4E,8Z,10Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide.

Molecular Properties

Compound Name(2E,4E,8Z,10Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
PubChem CID11413953
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(2E,4E,8Z,10Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
SMILESC/C=C\C=C/CC/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,17,18)/b5-4-,7-6-,11-10+,13-12+
InChIKeyVLGRWXYRKYWRPX-VSRLVKTQSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 6443006
Hydroxy-Gamma-Isosanshool
CID 14135316
Pipericine
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Hydroxy-Beta-Sanshool
CID 10220912
Hydroxy-Gamma-Sanshool
CID 14135317
N-Ethylnona-2,6-dienamide
CID 57351458
(E,E)-2,4-Decadienoic isobutylamide
CID 11368078
Hydroxy-Alpha-Sanshool
CID 10084135
Tetradeca-2E,4E-Dienoic Acid Isobutylamide
CID 10731388

Frequently Asked Questions

What is the IUPAC name of (2E,4E,8Z,10Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide?
The IUPAC name of (2E,4E,8Z,10Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide (CID 11413953) is (2E,4E,8Z,10Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide.
What is the SMILES notation for (2E,4E,8Z,10Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide?
The canonical SMILES for (2E,4E,8Z,10Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide is C/C=C\C=C/CC/C=C/C=C/C(=O)NCC(C)C.
What is the InChIKey of (2E,4E,8Z,10Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide?
The InChIKey is VLGRWXYRKYWRPX-VSRLVKTQSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,17,18)/b5-4-,7-6-,11-10+,13-12+.
What are the key properties of (2E,4E,8Z,10Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide?
(2E,4E,8Z,10Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide has a molecular weight of 247.38 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8Z,10Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide is sourced from PubChem (CID 11413953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).