2-(2-methylpropyl)icosa-2,4,6-trienamide

C24H43NO — CID 170984163

IUPAC2-(2-methylpropyl)icosa-2,4,6-trienamide
SMILESCCCCCCCCCCCCCC=CC=CC=C(CC(C)C)C(N)=O
InChIInChI=1S/C24H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(24(25)26)21-22(2)3/h16-20,22H,4-15,21H2,1-3H3,(H2,25,26)
InChIKeyMODOVTOMICBKDD-UHFFFAOYSA-N
MW361.61 g/mol
LogP7.26
Rot. Bonds17

About 2-(2-methylpropyl)icosa-2,4,6-trienamide

2-(2-methylpropyl)icosa-2,4,6-trienamide (PubChem CID 170984163) has the molecular formula C24H43NO and a molecular weight of 361.61 g/mol. Its IUPAC name is 2-(2-methylpropyl)icosa-2,4,6-trienamide.

Molecular Properties

Compound Name2-(2-methylpropyl)icosa-2,4,6-trienamide
PubChem CID170984163
Molecular FormulaC24H43NO
Molecular Weight361.61 g/mol
Exact Mass361.33
IUPAC Name2-(2-methylpropyl)icosa-2,4,6-trienamide
SMILESCCCCCCCCCCCCCC=CC=CC=C(CC(C)C)C(N)=O
InChIInChI=1S/C24H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(24(25)26)21-22(2)3/h16-20,22H,4-15,21H2,1-3H3,(H2,25,26)
InChIKeyMODOVTOMICBKDD-UHFFFAOYSA-N
XLogP7.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.61
LogP ≤ 57.26
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

2-(2-methylpropyl)icosa-2,4-dienamide
CID 170984165
(2E,4E,6E,8E,10E,12E)-2-methyltricosa-2,4,6,8,10,12-hexaenamide
CID 169003273
(1E,3E,5E,7E,9E)-1-aminoicosa-1,3,5,7,9-pentaen-1-ol
CID 165388962
2-ethylhexadeca-2,4,6-trienoic acid
CID 175162220
(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-hydroxyhenicosa-2,4,6,8-tetraenoic acid
CID 175806020
2-methyltrideca-2,4-dienamide
CID 154353968
icosa-2,4-dienamide
CID 123364114
2-methyloctatetraconta-2,4,6-triene
CID 165175383

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)icosa-2,4,6-trienamide?
The IUPAC name of 2-(2-methylpropyl)icosa-2,4,6-trienamide (CID 170984163) is 2-(2-methylpropyl)icosa-2,4,6-trienamide.
What is the SMILES notation for 2-(2-methylpropyl)icosa-2,4,6-trienamide?
The canonical SMILES for 2-(2-methylpropyl)icosa-2,4,6-trienamide is CCCCCCCCCCCCCC=CC=CC=C(CC(C)C)C(N)=O.
What is the InChIKey of 2-(2-methylpropyl)icosa-2,4,6-trienamide?
The InChIKey is MODOVTOMICBKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(24(25)26)21-22(2)3/h16-20,22H,4-15,21H2,1-3H3,(H2,25,26).
What are the key properties of 2-(2-methylpropyl)icosa-2,4,6-trienamide?
2-(2-methylpropyl)icosa-2,4,6-trienamide has a molecular weight of 361.61 g/mol, XLogP of 7.26, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)icosa-2,4,6-trienamide is sourced from PubChem (CID 170984163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).