2-acetyl-3-ethenyl-2-methyloctanamide

C13H23NO2 — CID 146162096

IUPAC2-acetyl-3-ethenyl-2-methyloctanamide
SMILESC=CC(CCCCC)C(C)(C(C)=O)C(N)=O
InChIInChI=1S/C13H23NO2/c1-5-7-8-9-11(6-2)13(4,10(3)15)12(14)16/h6,11H,2,5,7-9H2,1,3-4H3,(H2,14,16)
InChIKeyIVQQDSSMYSKPTG-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.45
Rot. Bonds8

About 2-acetyl-3-ethenyl-2-methyloctanamide

2-acetyl-3-ethenyl-2-methyloctanamide (PubChem CID 146162096) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-acetyl-3-ethenyl-2-methyloctanamide.

Molecular Properties

Compound Name2-acetyl-3-ethenyl-2-methyloctanamide
PubChem CID146162096
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-acetyl-3-ethenyl-2-methyloctanamide
SMILESC=CC(CCCCC)C(C)(C(C)=O)C(N)=O
InChIInChI=1S/C13H23NO2/c1-5-7-8-9-11(6-2)13(4,10(3)15)12(14)16/h6,11H,2,5,7-9H2,1,3-4H3,(H2,14,16)
InChIKeyIVQQDSSMYSKPTG-UHFFFAOYSA-N
XLogP2.45
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-3-ethenyl-2-methyloctanamide?
The IUPAC name of 2-acetyl-3-ethenyl-2-methyloctanamide (CID 146162096) is 2-acetyl-3-ethenyl-2-methyloctanamide.
What is the SMILES notation for 2-acetyl-3-ethenyl-2-methyloctanamide?
The canonical SMILES for 2-acetyl-3-ethenyl-2-methyloctanamide is C=CC(CCCCC)C(C)(C(C)=O)C(N)=O.
What is the InChIKey of 2-acetyl-3-ethenyl-2-methyloctanamide?
The InChIKey is IVQQDSSMYSKPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-7-8-9-11(6-2)13(4,10(3)15)12(14)16/h6,11H,2,5,7-9H2,1,3-4H3,(H2,14,16).
What are the key properties of 2-acetyl-3-ethenyl-2-methyloctanamide?
2-acetyl-3-ethenyl-2-methyloctanamide has a molecular weight of 225.33 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-3-ethenyl-2-methyloctanamide is sourced from PubChem (CID 146162096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).