(2E,4E)-N-(2-methylpropyl)-8-oxotetradeca-2,4-dienamide

C18H31NO2 — CID 5318939

IUPAC(2E,4E)-N-(2-methylpropyl)-8-oxotetradeca-2,4-dienamide
SMILESCCCCCCC(=O)CC/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C18H31NO2/c1-4-5-6-9-12-17(20)13-10-7-8-11-14-18(21)19-15-16(2)3/h7-8,11,14,16H,4-6,9-10,12-13,15H2,1-3H3,(H,19,21)/b8-7+,14-11+
InChIKeyAMCKSJIHLFXIIZ-DQBULIGTSA-N
MW293.45 g/mol
LogP4.19
Rot. Bonds12

About (2E,4E)-N-(2-methylpropyl)-8-oxotetradeca-2,4-dienamide

(2E,4E)-N-(2-methylpropyl)-8-oxotetradeca-2,4-dienamide (PubChem CID 5318939) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is (2E,4E)-N-(2-methylpropyl)-8-oxotetradeca-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-methylpropyl)-8-oxotetradeca-2,4-dienamide
PubChem CID5318939
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name(2E,4E)-N-(2-methylpropyl)-8-oxotetradeca-2,4-dienamide
SMILESCCCCCCC(=O)CC/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C18H31NO2/c1-4-5-6-9-12-17(20)13-10-7-8-11-14-18(21)19-15-16(2)3/h7-8,11,14,16H,4-6,9-10,12-13,15H2,1-3H3,(H,19,21)/b8-7+,14-11+
InChIKeyAMCKSJIHLFXIIZ-DQBULIGTSA-N
XLogP4.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Dodecatetraenoic acid isobutylamide, (2E,4E)-
CID 6443006
Pipericine
CID 9974234
Tetradeca-2E,4E-Dienoic Acid Isobutylamide
CID 10731388
2,4,14-Eicosatrienoic acid isobutylamide
CID 10338645
(2E,4E,8Z)-N-isobutyltetradeca-2,4,8-trienamide
CID 73355665
(E)-N-isobutyldodec-2-enamide
CID 14188011
Lanyuamide Ii
CID 5318940
N-Isobutyl-2,4-eicosadienamide
CID 6441067
N-isobutyl-2E,4Z-octadecadienoyl amine
CID 101713141
(2E,4E,12Z)-N-(2-Methylpropyl)-2,4,12-octadecatrienamide
CID 25221579
(2E,4E)-N-Isobutylundeca-2,4-dienamide
CID 11075468
Hexadeca-2E,9Z,12Z,14E-Tetraenoic Acid Isobutylamide
CID 44140283

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-methylpropyl)-8-oxotetradeca-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-methylpropyl)-8-oxotetradeca-2,4-dienamide (CID 5318939) is (2E,4E)-N-(2-methylpropyl)-8-oxotetradeca-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-methylpropyl)-8-oxotetradeca-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-methylpropyl)-8-oxotetradeca-2,4-dienamide is CCCCCCC(=O)CC/C=C/C=C/C(=O)NCC(C)C.
What is the InChIKey of (2E,4E)-N-(2-methylpropyl)-8-oxotetradeca-2,4-dienamide?
The InChIKey is AMCKSJIHLFXIIZ-DQBULIGTSA-N. The full InChI is InChI=1S/C18H31NO2/c1-4-5-6-9-12-17(20)13-10-7-8-11-14-18(21)19-15-16(2)3/h7-8,11,14,16H,4-6,9-10,12-13,15H2,1-3H3,(H,19,21)/b8-7+,14-11+.
What are the key properties of (2E,4E)-N-(2-methylpropyl)-8-oxotetradeca-2,4-dienamide?
(2E,4E)-N-(2-methylpropyl)-8-oxotetradeca-2,4-dienamide has a molecular weight of 293.45 g/mol, XLogP of 4.19, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-methylpropyl)-8-oxotetradeca-2,4-dienamide is sourced from PubChem (CID 5318939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).