2-(2-methylpropyl)icosa-2,4-dienamide

C24H45NO — CID 170984165

IUPAC2-(2-methylpropyl)icosa-2,4-dienamide
SMILESCCCCCCCCCCCCCCCC=CC=C(CC(C)C)C(N)=O
InChIInChI=1S/C24H45NO/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/h18-20,22H,4-17,21H2,1-3H3,(H2,25,26)
InChIKeyIBAGXZTWUXQQQF-UHFFFAOYSA-N
MW363.63 g/mol
LogP7.48
Rot. Bonds18

About 2-(2-methylpropyl)icosa-2,4-dienamide

2-(2-methylpropyl)icosa-2,4-dienamide (PubChem CID 170984165) has the molecular formula C24H45NO and a molecular weight of 363.63 g/mol. Its IUPAC name is 2-(2-methylpropyl)icosa-2,4-dienamide.

Molecular Properties

Compound Name2-(2-methylpropyl)icosa-2,4-dienamide
PubChem CID170984165
Molecular FormulaC24H45NO
Molecular Weight363.63 g/mol
Exact Mass363.35
IUPAC Name2-(2-methylpropyl)icosa-2,4-dienamide
SMILESCCCCCCCCCCCCCCCC=CC=C(CC(C)C)C(N)=O
InChIInChI=1S/C24H45NO/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/h18-20,22H,4-17,21H2,1-3H3,(H2,25,26)
InChIKeyIBAGXZTWUXQQQF-UHFFFAOYSA-N
XLogP7.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 57.48
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-2,4,6-trienamide
CID 170984163
(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
(2E,4E,6E,8E,10E,12E)-2-methyltricosa-2,4,6,8,10,12-hexaenamide
CID 169003273
icosa-2,4-dienamide
CID 123364114
(4E,6E)-3-aminotrideca-4,6-dienamide
CID 170875725
3,4-dimethyltrideca-4,6-dien-2-one
CID 90948923
(22E)-heptatetraconta-22,24-diene
CID 56629131
(2E,4Z)-deca-2,4-dienamide
CID 87184515

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)icosa-2,4-dienamide?
The IUPAC name of 2-(2-methylpropyl)icosa-2,4-dienamide (CID 170984165) is 2-(2-methylpropyl)icosa-2,4-dienamide.
What is the SMILES notation for 2-(2-methylpropyl)icosa-2,4-dienamide?
The canonical SMILES for 2-(2-methylpropyl)icosa-2,4-dienamide is CCCCCCCCCCCCCCCC=CC=C(CC(C)C)C(N)=O.
What is the InChIKey of 2-(2-methylpropyl)icosa-2,4-dienamide?
The InChIKey is IBAGXZTWUXQQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45NO/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/h18-20,22H,4-17,21H2,1-3H3,(H2,25,26).
What are the key properties of 2-(2-methylpropyl)icosa-2,4-dienamide?
2-(2-methylpropyl)icosa-2,4-dienamide has a molecular weight of 363.63 g/mol, XLogP of 7.48, 18 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-dienamide is sourced from PubChem (CID 170984165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).