(2E,4E,6E,8E,10E,12E)-2-methyltricosa-2,4,6,8,10,12-hexaenamide

C24H37NO — CID 169003273

IUPAC(2E,4E,6E,8E,10E,12E)-2-methyltricosa-2,4,6,8,10,12-hexaenamide
SMILESCCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C=C(\C)C(N)=O
InChIInChI=1S/C24H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)24(25)26/h12-22H,3-11H2,1-2H3,(H2,25,26)/b13-12+,15-14+,17-16+,19-18+,21-20+,23-22+
InChIKeySVLFIURSNFBRIO-DNKOKRCQSA-N
MW355.57 g/mol
LogP6.73
Rot. Bonds15

About (2E,4E,6E,8E,10E,12E)-2-methyltricosa-2,4,6,8,10,12-hexaenamide

(2E,4E,6E,8E,10E,12E)-2-methyltricosa-2,4,6,8,10,12-hexaenamide (PubChem CID 169003273) has the molecular formula C24H37NO and a molecular weight of 355.57 g/mol. Its IUPAC name is (2E,4E,6E,8E,10E,12E)-2-methyltricosa-2,4,6,8,10,12-hexaenamide.

Molecular Properties

Compound Name(2E,4E,6E,8E,10E,12E)-2-methyltricosa-2,4,6,8,10,12-hexaenamide
PubChem CID169003273
Molecular FormulaC24H37NO
Molecular Weight355.57 g/mol
Exact Mass355.29
IUPAC Name(2E,4E,6E,8E,10E,12E)-2-methyltricosa-2,4,6,8,10,12-hexaenamide
SMILESCCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C=C(\C)C(N)=O
InChIInChI=1S/C24H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)24(25)26/h12-22H,3-11H2,1-2H3,(H2,25,26)/b13-12+,15-14+,17-16+,19-18+,21-20+,23-22+
InChIKeySVLFIURSNFBRIO-DNKOKRCQSA-N
XLogP6.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.57
LogP ≤ 56.73
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-methyldodeca-2,4-dienamide
CID 168877598
2-methylpentadeca-2,4-dienamide
CID 168877600
2-methyltrideca-2,4-dienamide
CID 154353968
2-(2-methylpropyl)icosa-2,4,6-trienamide
CID 170984163
(1E,3E,5E,7E,9E)-1-aminoicosa-1,3,5,7,9-pentaen-1-ol
CID 165388962
2-methyloctatetraconta-2,4,6-triene
CID 165175383
tricosa-3,5,7,9,11,13-hexaen-2-one
CID 123320913
(3E,5E,7E)-heptadeca-3,5,7-trien-2-one
CID 167627017
pentadeca-3,5,7-trien-2-one
CID 91106763
2-hydroxyhenicosa-2,4,6,8-tetraenoic acid
CID 175806020

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E,10E,12E)-2-methyltricosa-2,4,6,8,10,12-hexaenamide?
The IUPAC name of (2E,4E,6E,8E,10E,12E)-2-methyltricosa-2,4,6,8,10,12-hexaenamide (CID 169003273) is (2E,4E,6E,8E,10E,12E)-2-methyltricosa-2,4,6,8,10,12-hexaenamide.
What is the SMILES notation for (2E,4E,6E,8E,10E,12E)-2-methyltricosa-2,4,6,8,10,12-hexaenamide?
The canonical SMILES for (2E,4E,6E,8E,10E,12E)-2-methyltricosa-2,4,6,8,10,12-hexaenamide is CCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C=C(\C)C(N)=O.
What is the InChIKey of (2E,4E,6E,8E,10E,12E)-2-methyltricosa-2,4,6,8,10,12-hexaenamide?
The InChIKey is SVLFIURSNFBRIO-DNKOKRCQSA-N. The full InChI is InChI=1S/C24H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)24(25)26/h12-22H,3-11H2,1-2H3,(H2,25,26)/b13-12+,15-14+,17-16+,19-18+,21-20+,23-22+.
What are the key properties of (2E,4E,6E,8E,10E,12E)-2-methyltricosa-2,4,6,8,10,12-hexaenamide?
(2E,4E,6E,8E,10E,12E)-2-methyltricosa-2,4,6,8,10,12-hexaenamide has a molecular weight of 355.57 g/mol, XLogP of 6.73, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E,10E,12E)-2-methyltricosa-2,4,6,8,10,12-hexaenamide is sourced from PubChem (CID 169003273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).