(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide

C18H33NO — CID 10731388

IUPAC(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide
SMILESCCCCCCCCC/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C18H33NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h12-15,17H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+
InChIKeyAGJAUFUNZWHLKE-SQIWNDBBSA-N
MW279.47 g/mol
LogP5.01
Rot. Bonds12

About (2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide

(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide (PubChem CID 10731388) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is (2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide
PubChem CID10731388
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide
SMILESCCCCCCCCC/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C18H33NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h12-15,17H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+
InChIKeyAGJAUFUNZWHLKE-SQIWNDBBSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.47
LogP ≤ 55.01
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

(2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide
CID 91697623
(Z)-N-(2-methylpropyl)dec-2-enamide
CID 140519128
N-(2-methylbutyl)dodeca-2,4-dienamide
CID 162868762
(2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide
CID 38347217
(2E,4E)-10-hydroxy-N-(2-methylpropyl)deca-2,4-dienamide
CID 88665228
N-(2-methylpropyl)trideca-2,4,12-trienamide
CID 87901236
(2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide
CID 149163052
(2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide
CID 175711571
(2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide
CID 134860994
(2E,4E)-N-(2-hydroxyethyl)icosa-2,4-dienamide
CID 21158622
N-(2-methylpropyl)dodeca-2,8-dienamide
CID 78385027
N-methyltetradeca-2,4-dienamide
CID 123476396

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide (CID 10731388) is (2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide is CCCCCCCCC/C=C/C=C/C(=O)NCC(C)C.
What is the InChIKey of (2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide?
The InChIKey is AGJAUFUNZWHLKE-SQIWNDBBSA-N. The full InChI is InChI=1S/C18H33NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h12-15,17H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+.
What are the key properties of (2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide?
(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide has a molecular weight of 279.47 g/mol, XLogP of 5.01, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide is sourced from PubChem (CID 10731388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).