4-bromo-N,N-didecylbutanamide

C24H48BrNO — CID 168865726

IUPAC4-bromo-N,N-didecylbutanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCBr
InChIInChI=1S/C24H48BrNO/c1-3-5-7-9-11-13-15-17-22-26(24(27)20-19-21-25)23-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3
InChIKeyDJUDDQBTCHFQHJ-UHFFFAOYSA-N
MW446.56 g/mol
LogP8.27
Rot. Bonds21

About 4-bromo-N,N-didecylbutanamide

4-bromo-N,N-didecylbutanamide (PubChem CID 168865726) has the molecular formula C24H48BrNO and a molecular weight of 446.56 g/mol. Its IUPAC name is 4-bromo-N,N-didecylbutanamide.

Molecular Properties

Compound Name4-bromo-N,N-didecylbutanamide
PubChem CID168865726
Molecular FormulaC24H48BrNO
Molecular Weight446.56 g/mol
Exact Mass445.29
IUPAC Name4-bromo-N,N-didecylbutanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCBr
InChIInChI=1S/C24H48BrNO/c1-3-5-7-9-11-13-15-17-22-26(24(27)20-19-21-25)23-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3
InChIKeyDJUDDQBTCHFQHJ-UHFFFAOYSA-N
XLogP8.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.56
LogP ≤ 58.27
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

6-bromo-N,N-dioctylhexanamide
CID 533338
8-bromo-N,N-didecyloctanamide;ethane
CID 168943816
N,N-dioctyltetradecanamide
CID 169083302
N,N-di(nonyl)octanamide
CID 533141
N,N-di(undecyl)pentanamide
CID 532896
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N-(2-bromoethyl)-N-butyloctanamide
CID 80658698
N-butyl-N-octyldecanamide
CID 18913402
N,N-di(undecyl)butanamide
CID 533369
N,N-di(nonyl)butanamide
CID 533367
N',N'-dioctylhexanediamide
CID 53437404
4-amino-N,N-di(tetradecyl)butanamide
CID 169149946

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-didecylbutanamide?
The IUPAC name of 4-bromo-N,N-didecylbutanamide (CID 168865726) is 4-bromo-N,N-didecylbutanamide.
What is the SMILES notation for 4-bromo-N,N-didecylbutanamide?
The canonical SMILES for 4-bromo-N,N-didecylbutanamide is CCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCBr.
What is the InChIKey of 4-bromo-N,N-didecylbutanamide?
The InChIKey is DJUDDQBTCHFQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48BrNO/c1-3-5-7-9-11-13-15-17-22-26(24(27)20-19-21-25)23-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3.
What are the key properties of 4-bromo-N,N-didecylbutanamide?
4-bromo-N,N-didecylbutanamide has a molecular weight of 446.56 g/mol, XLogP of 8.27, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-didecylbutanamide is sourced from PubChem (CID 168865726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).