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

C12H21NO — CID 6479668

IUPAC(2E,4E)-N-(2-methylpropyl)octa-2,4-dienamide
SMILESCCC/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6+,9-8+
InChIKeyVZASTVPVPUAAJK-BLHCBFLLSA-N
MW195.31 g/mol
LogP2.67
Rot. Bonds6

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

(2E,4E)-N-(2-methylpropyl)octa-2,4-dienamide (PubChem CID 6479668) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (2E,4E)-N-(2-methylpropyl)octa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-methylpropyl)octa-2,4-dienamide
PubChem CID6479668
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(2E,4E)-N-(2-methylpropyl)octa-2,4-dienamide
SMILESCCC/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6+,9-8+
InChIKeyVZASTVPVPUAAJK-BLHCBFLLSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.67
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-methylpropyl)octa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-methylpropyl)octa-2,4-dienamide (CID 6479668) is (2E,4E)-N-(2-methylpropyl)octa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-methylpropyl)octa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-methylpropyl)octa-2,4-dienamide is CCC/C=C/C=C/C(=O)NCC(C)C.
What is the InChIKey of (2E,4E)-N-(2-methylpropyl)octa-2,4-dienamide?
The InChIKey is VZASTVPVPUAAJK-BLHCBFLLSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)/b7-6+,9-8+.
What are the key properties of (2E,4E)-N-(2-methylpropyl)octa-2,4-dienamide?
(2E,4E)-N-(2-methylpropyl)octa-2,4-dienamide has a molecular weight of 195.31 g/mol, XLogP of 2.67, 6 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)octa-2,4-dienamide is sourced from PubChem (CID 6479668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).