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

C24H45NO — CID 6441067

IUPAC(2E,4E)-N-(2-methylpropyl)icosa-2,4-dienamide
SMILESCCCCCCCCCCCCCCC/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C24H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25-22-23(2)3/h18-21,23H,4-17,22H2,1-3H3,(H,25,26)/b19-18+,21-20+
InChIKeyLMZPUHBJSQVRHE-HYGARKJASA-N
MW363.63 g/mol
LogP7.35
Rot. Bonds18

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

(2E,4E)-N-(2-methylpropyl)icosa-2,4-dienamide (PubChem CID 6441067) has the molecular formula C24H45NO and a molecular weight of 363.63 g/mol. Its IUPAC name is (2E,4E)-N-(2-methylpropyl)icosa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-methylpropyl)icosa-2,4-dienamide
PubChem CID6441067
Molecular FormulaC24H45NO
Molecular Weight363.63 g/mol
Exact Mass363.35
IUPAC Name(2E,4E)-N-(2-methylpropyl)icosa-2,4-dienamide
SMILESCCCCCCCCCCCCCCC/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C24H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25-22-23(2)3/h18-21,23H,4-17,22H2,1-3H3,(H,25,26)/b19-18+,21-20+
InChIKeyLMZPUHBJSQVRHE-HYGARKJASA-N
XLogP7.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 57.35
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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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-methylpropyl)icosa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-methylpropyl)icosa-2,4-dienamide (CID 6441067) is (2E,4E)-N-(2-methylpropyl)icosa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-methylpropyl)icosa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-methylpropyl)icosa-2,4-dienamide is CCCCCCCCCCCCCCC/C=C/C=C/C(=O)NCC(C)C.
What is the InChIKey of (2E,4E)-N-(2-methylpropyl)icosa-2,4-dienamide?
The InChIKey is LMZPUHBJSQVRHE-HYGARKJASA-N. The full InChI is InChI=1S/C24H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25-22-23(2)3/h18-21,23H,4-17,22H2,1-3H3,(H,25,26)/b19-18+,21-20+.
What are the key properties of (2E,4E)-N-(2-methylpropyl)icosa-2,4-dienamide?
(2E,4E)-N-(2-methylpropyl)icosa-2,4-dienamide has a molecular weight of 363.63 g/mol, XLogP of 7.35, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-methylpropyl)icosa-2,4-dienamide is sourced from PubChem (CID 6441067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).