(2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide

C16H25NO — CID 175711571

IUPAC(2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide
SMILESCCC/C=C\C=C/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/h6-13,15H,4-5,14H2,1-3H3,(H,17,18)/b7-6-,9-8-,11-10+,13-12+
InChIKeyVSHOCVUMLJIAFW-VDFQFJOPSA-N
MW247.38 g/mol
LogP3.78
Rot. Bonds8

About (2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide

(2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide (PubChem CID 175711571) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide.

Molecular Properties

Compound Name(2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide
PubChem CID175711571
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide
SMILESCCC/C=C\C=C/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/h6-13,15H,4-5,14H2,1-3H3,(H,17,18)/b7-6-,9-8-,11-10+,13-12+
InChIKeyVSHOCVUMLJIAFW-VDFQFJOPSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide with MolForge

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Related Compounds

(2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide
CID 149163052
(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide
CID 10731388
(2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide
CID 91697623
N-(2-methylpropyl)dodeca-2,8-dienamide
CID 78385027
(2E,4E,8E)-N-(2-methylpropyl)undeca-2,4,8,10-tetraenamide
CID 132536757
(2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide
CID 134860994
(2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide
CID 25195169
11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide
CID 163037919
(2E,4E)-10-hydroxy-N-(2-methylpropyl)deca-2,4-dienamide
CID 88665228
N-(2-methylpropyl)trideca-2,4,12-trienamide
CID 87901236
(2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide
CID 38347217
N-(2-methylbutyl)dodeca-2,4-dienamide
CID 162868762

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide?
The IUPAC name of (2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide (CID 175711571) is (2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide.
What is the SMILES notation for (2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide?
The canonical SMILES for (2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide is CCC/C=C\C=C/C=C/C=C/C(=O)NCC(C)C.
What is the InChIKey of (2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide?
The InChIKey is VSHOCVUMLJIAFW-VDFQFJOPSA-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/h6-13,15H,4-5,14H2,1-3H3,(H,17,18)/b7-6-,9-8-,11-10+,13-12+.
What are the key properties of (2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide?
(2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-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,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide is sourced from PubChem (CID 175711571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).