N-butan-2-yldeca-2,4-dienamide

C14H25NO — CID 71402968

IUPACN-butan-2-yldeca-2,4-dienamide
SMILESCCCCCC=CC=CC(=O)NC(C)CC
InChIInChI=1S/C14H25NO/c1-4-6-7-8-9-10-11-12-14(16)15-13(3)5-2/h9-13H,4-8H2,1-3H3,(H,15,16)
InChIKeyQMIWSRNEYNUYFE-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.59
Rot. Bonds8

About N-butan-2-yldeca-2,4-dienamide

N-butan-2-yldeca-2,4-dienamide (PubChem CID 71402968) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-butan-2-yldeca-2,4-dienamide.

Molecular Properties

Compound NameN-butan-2-yldeca-2,4-dienamide
PubChem CID71402968
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-butan-2-yldeca-2,4-dienamide
SMILESCCCCCC=CC=CC(=O)NC(C)CC
InChIInChI=1S/C14H25NO/c1-4-6-7-8-9-10-11-12-14(16)15-13(3)5-2/h9-13H,4-8H2,1-3H3,(H,15,16)
InChIKeyQMIWSRNEYNUYFE-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.59
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 N-butan-2-yldeca-2,4-dienamide?
The IUPAC name of N-butan-2-yldeca-2,4-dienamide (CID 71402968) is N-butan-2-yldeca-2,4-dienamide.
What is the SMILES notation for N-butan-2-yldeca-2,4-dienamide?
The canonical SMILES for N-butan-2-yldeca-2,4-dienamide is CCCCCC=CC=CC(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yldeca-2,4-dienamide?
The InChIKey is QMIWSRNEYNUYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-6-7-8-9-10-11-12-14(16)15-13(3)5-2/h9-13H,4-8H2,1-3H3,(H,15,16).
What are the key properties of N-butan-2-yldeca-2,4-dienamide?
N-butan-2-yldeca-2,4-dienamide has a molecular weight of 223.36 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yldeca-2,4-dienamide is sourced from PubChem (CID 71402968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).