6-bromo-N,N-didecylhexanamide

C26H52BrNO — CID 533340

IUPAC6-bromo-N,N-didecylhexanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCBr
InChIInChI=1S/C26H52BrNO/c1-3-5-7-9-11-13-15-20-24-28(26(29)22-18-17-19-23-27)25-21-16-14-12-10-8-6-4-2/h3-25H2,1-2H3
InChIKeyABYHXIDXYXTZBH-UHFFFAOYSA-N
MW474.61 g/mol
LogP9.05
Rot. Bonds23

About 6-bromo-N,N-didecylhexanamide

6-bromo-N,N-didecylhexanamide (PubChem CID 533340) has the molecular formula C26H52BrNO and a molecular weight of 474.61 g/mol. Its IUPAC name is 6-bromo-N,N-didecylhexanamide.

Molecular Properties

Compound Name6-bromo-N,N-didecylhexanamide
PubChem CID533340
Molecular FormulaC26H52BrNO
Molecular Weight474.61 g/mol
Exact Mass473.32
IUPAC Name6-bromo-N,N-didecylhexanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCBr
InChIInChI=1S/C26H52BrNO/c1-3-5-7-9-11-13-15-20-24-28(26(29)22-18-17-19-23-27)25-21-16-14-12-10-8-6-4-2/h3-25H2,1-2H3
InChIKeyABYHXIDXYXTZBH-UHFFFAOYSA-N
XLogP9.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 59.05
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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Related Compounds

N,N-Diethyldodecanamide
CID 18783
N,N-Dibutyldodecanamide
CID 219313
N,N-dibutyldecanamide
CID 304086
N,N-Dipropyldecanamide
CID 90658
Solapalmitine
CID 275969
N,N-Diethyloctadecanamide
CID 575487
N,N-Dibutyloctanamide
CID 93627
Octanamide, N,N-dihexyl-
CID 533135
N,N-dibutylnonanamide
CID 304140
N,N-Diethylhexadecan-1-amide
CID 93626
N,N-diethyltetradecanamide
CID 304122
N,N-dibutylhexadecanamide
CID 304123

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,N-didecylhexanamide?
The IUPAC name of 6-bromo-N,N-didecylhexanamide (CID 533340) is 6-bromo-N,N-didecylhexanamide.
What is the SMILES notation for 6-bromo-N,N-didecylhexanamide?
The canonical SMILES for 6-bromo-N,N-didecylhexanamide is CCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCBr.
What is the InChIKey of 6-bromo-N,N-didecylhexanamide?
The InChIKey is ABYHXIDXYXTZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52BrNO/c1-3-5-7-9-11-13-15-20-24-28(26(29)22-18-17-19-23-27)25-21-16-14-12-10-8-6-4-2/h3-25H2,1-2H3.
What are the key properties of 6-bromo-N,N-didecylhexanamide?
6-bromo-N,N-didecylhexanamide has a molecular weight of 474.61 g/mol, XLogP of 9.05, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,N-didecylhexanamide is sourced from PubChem (CID 533340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).