2-methyldodeca-2,4-dienamide

C13H23NO — CID 168877598

IUPAC2-methyldodeca-2,4-dienamide
SMILESCCCCCCCC=CC=C(C)C(N)=O
InChIInChI=1S/C13H23NO/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h9-11H,3-8H2,1-2H3,(H2,14,15)
InChIKeyBDBRHLTVDVNGQT-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.33
Rot. Bonds8

About 2-methyldodeca-2,4-dienamide

2-methyldodeca-2,4-dienamide (PubChem CID 168877598) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-methyldodeca-2,4-dienamide.

Molecular Properties

Compound Name2-methyldodeca-2,4-dienamide
PubChem CID168877598
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-methyldodeca-2,4-dienamide
SMILESCCCCCCCC=CC=C(C)C(N)=O
InChIInChI=1S/C13H23NO/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h9-11H,3-8H2,1-2H3,(H2,14,15)
InChIKeyBDBRHLTVDVNGQT-UHFFFAOYSA-N
XLogP3.33
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.33
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)-2-methylpentadeca-2,4-dienamide
CID 169003282
(2E,4E)-2-methylheptacosa-2,4-dienamide
CID 169003266
2-methylpentadeca-2,4-dienamide
CID 168877600
2-methyltrideca-2,4-dienamide
CID 154353968
(2E,4E,6E,8E,10E,12E)-2-methyltricosa-2,4,6,8,10,12-hexaenamide
CID 169003273
(E)-2-methylhexadec-2-enamide
CID 87240184
2-methylnonacos-2-enamide
CID 141002865
2-(2-methylpropyl)icosa-2,4-dienamide
CID 170984165
(2E,4Z)-2-methylhepta-2,4-dienamide
CID 143129883
icosa-2,4-dienamide
CID 123364114
3,4-dimethyltrideca-4,6-dien-2-one
CID 90948923
2-(2-methylpropyl)icosa-2,4,6-trienamide
CID 170984163

Frequently Asked Questions

What is the IUPAC name of 2-methyldodeca-2,4-dienamide?
The IUPAC name of 2-methyldodeca-2,4-dienamide (CID 168877598) is 2-methyldodeca-2,4-dienamide.
What is the SMILES notation for 2-methyldodeca-2,4-dienamide?
The canonical SMILES for 2-methyldodeca-2,4-dienamide is CCCCCCCC=CC=C(C)C(N)=O.
What is the InChIKey of 2-methyldodeca-2,4-dienamide?
The InChIKey is BDBRHLTVDVNGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h9-11H,3-8H2,1-2H3,(H2,14,15).
What are the key properties of 2-methyldodeca-2,4-dienamide?
2-methyldodeca-2,4-dienamide has a molecular weight of 209.33 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldodeca-2,4-dienamide is sourced from PubChem (CID 168877598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).