2-bromo-N-heptyl-N-octylacetamide

C17H34BrNO — CID 532881

IUPAC2-bromo-N-heptyl-N-octylacetamide
SMILESCCCCCCCCN(CCCCCCC)C(=O)CBr
InChIInChI=1S/C17H34BrNO/c1-3-5-7-9-11-13-15-19(17(20)16-18)14-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKeyQLRLBCAQISQMGS-UHFFFAOYSA-N
MW348.37 g/mol
LogP5.54
Rot. Bonds14

About 2-bromo-N-heptyl-N-octylacetamide

2-bromo-N-heptyl-N-octylacetamide (PubChem CID 532881) has the molecular formula C17H34BrNO and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-bromo-N-heptyl-N-octylacetamide.

Molecular Properties

Compound Name2-bromo-N-heptyl-N-octylacetamide
PubChem CID532881
Molecular FormulaC17H34BrNO
Molecular Weight348.37 g/mol
Exact Mass347.18
IUPAC Name2-bromo-N-heptyl-N-octylacetamide
SMILESCCCCCCCCN(CCCCCCC)C(=O)CBr
InChIInChI=1S/C17H34BrNO/c1-3-5-7-9-11-13-15-19(17(20)16-18)14-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKeyQLRLBCAQISQMGS-UHFFFAOYSA-N
XLogP5.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.37
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-heptyl-N-octylacetamide?
The IUPAC name of 2-bromo-N-heptyl-N-octylacetamide (CID 532881) is 2-bromo-N-heptyl-N-octylacetamide.
What is the SMILES notation for 2-bromo-N-heptyl-N-octylacetamide?
The canonical SMILES for 2-bromo-N-heptyl-N-octylacetamide is CCCCCCCCN(CCCCCCC)C(=O)CBr.
What is the InChIKey of 2-bromo-N-heptyl-N-octylacetamide?
The InChIKey is QLRLBCAQISQMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34BrNO/c1-3-5-7-9-11-13-15-19(17(20)16-18)14-12-10-8-6-4-2/h3-16H2,1-2H3.
What are the key properties of 2-bromo-N-heptyl-N-octylacetamide?
2-bromo-N-heptyl-N-octylacetamide has a molecular weight of 348.37 g/mol, XLogP of 5.54, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-heptyl-N-octylacetamide is sourced from PubChem (CID 532881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).