2-bromo-N,N-dihexylacetamide

C14H28BrNO — CID 532878

IUPAC2-bromo-N,N-dihexylacetamide
SMILESCCCCCCN(CCCCCC)C(=O)CBr
InChIInChI=1S/C14H28BrNO/c1-3-5-7-9-11-16(14(17)13-15)12-10-8-6-4-2/h3-13H2,1-2H3
InChIKeyQAVOJOUQVKLRPP-UHFFFAOYSA-N
MW306.29 g/mol
LogP4.37
Rot. Bonds11

About 2-bromo-N,N-dihexylacetamide

2-bromo-N,N-dihexylacetamide (PubChem CID 532878) has the molecular formula C14H28BrNO and a molecular weight of 306.29 g/mol. Its IUPAC name is 2-bromo-N,N-dihexylacetamide.

Molecular Properties

Compound Name2-bromo-N,N-dihexylacetamide
PubChem CID532878
Molecular FormulaC14H28BrNO
Molecular Weight306.29 g/mol
Exact Mass305.14
IUPAC Name2-bromo-N,N-dihexylacetamide
SMILESCCCCCCN(CCCCCC)C(=O)CBr
InChIInChI=1S/C14H28BrNO/c1-3-5-7-9-11-16(14(17)13-15)12-10-8-6-4-2/h3-13H2,1-2H3
InChIKeyQAVOJOUQVKLRPP-UHFFFAOYSA-N
XLogP4.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 54.37
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,N-dihexylacetamide?
The IUPAC name of 2-bromo-N,N-dihexylacetamide (CID 532878) is 2-bromo-N,N-dihexylacetamide.
What is the SMILES notation for 2-bromo-N,N-dihexylacetamide?
The canonical SMILES for 2-bromo-N,N-dihexylacetamide is CCCCCCN(CCCCCC)C(=O)CBr.
What is the InChIKey of 2-bromo-N,N-dihexylacetamide?
The InChIKey is QAVOJOUQVKLRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28BrNO/c1-3-5-7-9-11-16(14(17)13-15)12-10-8-6-4-2/h3-13H2,1-2H3.
What are the key properties of 2-bromo-N,N-dihexylacetamide?
2-bromo-N,N-dihexylacetamide has a molecular weight of 306.29 g/mol, XLogP of 4.37, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-dihexylacetamide is sourced from PubChem (CID 532878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).