N-[(1E,3E)-2-hexyldeca-1,3-dienyl]acetamide

C18H33NO — CID 101347651

IUPACN-[(1E,3E)-2-hexyldeca-1,3-dienyl]acetamide
SMILESCCCCCC/C=C/C(=C/NC(C)=O)CCCCCC
InChIInChI=1S/C18H33NO/c1-4-6-8-10-11-13-15-18(16-19-17(3)20)14-12-9-7-5-2/h13,15-16H,4-12,14H2,1-3H3,(H,19,20)/b15-13+,18-16+
InChIKeyFIILYRWWAHDWON-LDLWNPHPSA-N
MW279.47 g/mol
LogP5.50
Rot. Bonds12

About N-[(1E,3E)-2-hexyldeca-1,3-dienyl]acetamide

N-[(1E,3E)-2-hexyldeca-1,3-dienyl]acetamide (PubChem CID 101347651) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[(1E,3E)-2-hexyldeca-1,3-dienyl]acetamide.

Molecular Properties

Compound NameN-[(1E,3E)-2-hexyldeca-1,3-dienyl]acetamide
PubChem CID101347651
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-[(1E,3E)-2-hexyldeca-1,3-dienyl]acetamide
SMILESCCCCCC/C=C/C(=C/NC(C)=O)CCCCCC
InChIInChI=1S/C18H33NO/c1-4-6-8-10-11-13-15-18(16-19-17(3)20)14-12-9-7-5-2/h13,15-16H,4-12,14H2,1-3H3,(H,19,20)/b15-13+,18-16+
InChIKeyFIILYRWWAHDWON-LDLWNPHPSA-N
XLogP5.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.47
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-2-hexyldeca-1,3-dienyl]acetamide?
The IUPAC name of N-[(1E,3E)-2-hexyldeca-1,3-dienyl]acetamide (CID 101347651) is N-[(1E,3E)-2-hexyldeca-1,3-dienyl]acetamide.
What is the SMILES notation for N-[(1E,3E)-2-hexyldeca-1,3-dienyl]acetamide?
The canonical SMILES for N-[(1E,3E)-2-hexyldeca-1,3-dienyl]acetamide is CCCCCC/C=C/C(=C/NC(C)=O)CCCCCC.
What is the InChIKey of N-[(1E,3E)-2-hexyldeca-1,3-dienyl]acetamide?
The InChIKey is FIILYRWWAHDWON-LDLWNPHPSA-N. The full InChI is InChI=1S/C18H33NO/c1-4-6-8-10-11-13-15-18(16-19-17(3)20)14-12-9-7-5-2/h13,15-16H,4-12,14H2,1-3H3,(H,19,20)/b15-13+,18-16+.
What are the key properties of N-[(1E,3E)-2-hexyldeca-1,3-dienyl]acetamide?
N-[(1E,3E)-2-hexyldeca-1,3-dienyl]acetamide has a molecular weight of 279.47 g/mol, XLogP of 5.50, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-2-hexyldeca-1,3-dienyl]acetamide is sourced from PubChem (CID 101347651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).