5-bromo-N,N-dihexylpentanamide

C17H34BrNO — CID 532966

IUPAC5-bromo-N,N-dihexylpentanamide
SMILESCCCCCCN(CCCCCC)C(=O)CCCCBr
InChIInChI=1S/C17H34BrNO/c1-3-5-7-11-15-19(16-12-8-6-4-2)17(20)13-9-10-14-18/h3-16H2,1-2H3
InChIKeyGWPLZVXNYGPQPK-UHFFFAOYSA-N
MW348.37 g/mol
LogP5.54
Rot. Bonds14

About 5-bromo-N,N-dihexylpentanamide

5-bromo-N,N-dihexylpentanamide (PubChem CID 532966) has the molecular formula C17H34BrNO and a molecular weight of 348.37 g/mol. Its IUPAC name is 5-bromo-N,N-dihexylpentanamide.

Molecular Properties

Compound Name5-bromo-N,N-dihexylpentanamide
PubChem CID532966
Molecular FormulaC17H34BrNO
Molecular Weight348.37 g/mol
Exact Mass347.18
IUPAC Name5-bromo-N,N-dihexylpentanamide
SMILESCCCCCCN(CCCCCC)C(=O)CCCCBr
InChIInChI=1S/C17H34BrNO/c1-3-5-7-11-15-19(16-12-8-6-4-2)17(20)13-9-10-14-18/h3-16H2,1-2H3
InChIKeyGWPLZVXNYGPQPK-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'}

Analyze 5-bromo-N,N-dihexylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bromoacetamide, N,N-dioctyl-
CID 532882
Butanamide, N,N-dihexyl-
CID 533361
Bromoacetamide, N,N-didecyl-
CID 532884
Pentanamide, N,N-dihexyl-
CID 532888
Pentanamide, N,N-dioctyl-5-bromo-
CID 532971
Pentanamide, N,N-didecyl-5-bromo-
CID 532973
Propanamide, N,N-dioctyl-2-bromo-
CID 533074
Hexanamide, N,N-dihexyl-6-bromo-
CID 533335
Hexanamide, N,N-bis(2-ethylhexyl)-6-bromo-
CID 533336
Hexanamide, N,N-dioctyl-6-bromo-
CID 533338
Hexanamide, N,N-didecyl-6-bromo-
CID 533340
Hexanamide, N,N-dihexyl-
CID 3606987

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-dihexylpentanamide?
The IUPAC name of 5-bromo-N,N-dihexylpentanamide (CID 532966) is 5-bromo-N,N-dihexylpentanamide.
What is the SMILES notation for 5-bromo-N,N-dihexylpentanamide?
The canonical SMILES for 5-bromo-N,N-dihexylpentanamide is CCCCCCN(CCCCCC)C(=O)CCCCBr.
What is the InChIKey of 5-bromo-N,N-dihexylpentanamide?
The InChIKey is GWPLZVXNYGPQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34BrNO/c1-3-5-7-11-15-19(16-12-8-6-4-2)17(20)13-9-10-14-18/h3-16H2,1-2H3.
What are the key properties of 5-bromo-N,N-dihexylpentanamide?
5-bromo-N,N-dihexylpentanamide 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 5-bromo-N,N-dihexylpentanamide is sourced from PubChem (CID 532966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).