(2E,4E)-2-methylheptacosa-2,4-dienamide

C28H53NO — CID 169003266

IUPAC(2E,4E)-2-methylheptacosa-2,4-dienamide
SMILESCCCCCCCCCCCCCCCCCCCCCC/C=C/C=C(\C)C(N)=O
InChIInChI=1S/C28H53NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(2)28(29)30/h24-26H,3-23H2,1-2H3,(H2,29,30)/b25-24+,27-26+
InChIKeyNMDVIWHCJIMDEG-JQRDNDPDSA-N
MW419.74 g/mol
LogP9.19
Rot. Bonds23

About (2E,4E)-2-methylheptacosa-2,4-dienamide

(2E,4E)-2-methylheptacosa-2,4-dienamide (PubChem CID 169003266) has the molecular formula C28H53NO and a molecular weight of 419.74 g/mol. Its IUPAC name is (2E,4E)-2-methylheptacosa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-2-methylheptacosa-2,4-dienamide
PubChem CID169003266
Molecular FormulaC28H53NO
Molecular Weight419.74 g/mol
Exact Mass419.41
IUPAC Name(2E,4E)-2-methylheptacosa-2,4-dienamide
SMILESCCCCCCCCCCCCCCCCCCCCCC/C=C/C=C(\C)C(N)=O
InChIInChI=1S/C28H53NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(2)28(29)30/h24-26H,3-23H2,1-2H3,(H2,29,30)/b25-24+,27-26+
InChIKeyNMDVIWHCJIMDEG-JQRDNDPDSA-N
XLogP9.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.74
LogP ≤ 59.19
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
2-methyldodeca-2,4-dienamide
CID 168877598
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 (2E,4E)-2-methylheptacosa-2,4-dienamide?
The IUPAC name of (2E,4E)-2-methylheptacosa-2,4-dienamide (CID 169003266) is (2E,4E)-2-methylheptacosa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-2-methylheptacosa-2,4-dienamide?
The canonical SMILES for (2E,4E)-2-methylheptacosa-2,4-dienamide is CCCCCCCCCCCCCCCCCCCCCC/C=C/C=C(\C)C(N)=O.
What is the InChIKey of (2E,4E)-2-methylheptacosa-2,4-dienamide?
The InChIKey is NMDVIWHCJIMDEG-JQRDNDPDSA-N. The full InChI is InChI=1S/C28H53NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(2)28(29)30/h24-26H,3-23H2,1-2H3,(H2,29,30)/b25-24+,27-26+.
What are the key properties of (2E,4E)-2-methylheptacosa-2,4-dienamide?
(2E,4E)-2-methylheptacosa-2,4-dienamide has a molecular weight of 419.74 g/mol, XLogP of 9.19, 23 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-methylheptacosa-2,4-dienamide is sourced from PubChem (CID 169003266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).