6-bromo-N,N-dioctylhexanamide

C22H44BrNO — CID 533338

IUPAC6-bromo-N,N-dioctylhexanamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)CCCCCBr
InChIInChI=1S/C22H44BrNO/c1-3-5-7-9-11-16-20-24(21-17-12-10-8-6-4-2)22(25)18-14-13-15-19-23/h3-21H2,1-2H3
InChIKeyWFGNURHFUXIZTC-UHFFFAOYSA-N
MW418.50 g/mol
LogP7.49
Rot. Bonds19

About 6-bromo-N,N-dioctylhexanamide

6-bromo-N,N-dioctylhexanamide (PubChem CID 533338) has the molecular formula C22H44BrNO and a molecular weight of 418.50 g/mol. Its IUPAC name is 6-bromo-N,N-dioctylhexanamide.

Molecular Properties

Compound Name6-bromo-N,N-dioctylhexanamide
PubChem CID533338
Molecular FormulaC22H44BrNO
Molecular Weight418.50 g/mol
Exact Mass417.26
IUPAC Name6-bromo-N,N-dioctylhexanamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)CCCCCBr
InChIInChI=1S/C22H44BrNO/c1-3-5-7-9-11-16-20-24(21-17-12-10-8-6-4-2)22(25)18-14-13-15-19-23/h3-21H2,1-2H3
InChIKeyWFGNURHFUXIZTC-UHFFFAOYSA-N
XLogP7.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 57.49
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

8-bromo-N,N-didecyloctanamide;ethane
CID 168943816
4-bromo-N,N-didecylbutanamide
CID 168865726
N,N-di(nonyl)octanamide
CID 533141
N,N-dioctyltetradecanamide
CID 169083302
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N-(2-bromoethyl)-N-butyloctanamide
CID 80658698
N-butyl-N-octyldecanamide
CID 18913402
N,N-di(undecyl)pentanamide
CID 532896
N',N'-dioctylhexanediamide
CID 53437404
N-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide
CID 169189818
N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-(5-hydroxypentyl)amino]hexanamide
CID 168943837
2-hexyldecyl 6-[9-bromononanoyl(hexyl)amino]hexanoate
CID 176570542

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,N-dioctylhexanamide?
The IUPAC name of 6-bromo-N,N-dioctylhexanamide (CID 533338) is 6-bromo-N,N-dioctylhexanamide.
What is the SMILES notation for 6-bromo-N,N-dioctylhexanamide?
The canonical SMILES for 6-bromo-N,N-dioctylhexanamide is CCCCCCCCN(CCCCCCCC)C(=O)CCCCCBr.
What is the InChIKey of 6-bromo-N,N-dioctylhexanamide?
The InChIKey is WFGNURHFUXIZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44BrNO/c1-3-5-7-9-11-16-20-24(21-17-12-10-8-6-4-2)22(25)18-14-13-15-19-23/h3-21H2,1-2H3.
What are the key properties of 6-bromo-N,N-dioctylhexanamide?
6-bromo-N,N-dioctylhexanamide has a molecular weight of 418.50 g/mol, XLogP of 7.49, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,N-dioctylhexanamide is sourced from PubChem (CID 533338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).