2-bromo-N,N-di(undecyl)acetamide

C24H48BrNO — CID 532885

IUPAC2-bromo-N,N-di(undecyl)acetamide
SMILESCCCCCCCCCCCN(CCCCCCCCCCC)C(=O)CBr
InChIInChI=1S/C24H48BrNO/c1-3-5-7-9-11-13-15-17-19-21-26(24(27)23-25)22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3
InChIKeyGMTOKSHJAROLMG-UHFFFAOYSA-N
MW446.56 g/mol
LogP8.27
Rot. Bonds21

About 2-bromo-N,N-di(undecyl)acetamide

2-bromo-N,N-di(undecyl)acetamide (PubChem CID 532885) has the molecular formula C24H48BrNO and a molecular weight of 446.56 g/mol. Its IUPAC name is 2-bromo-N,N-di(undecyl)acetamide.

Molecular Properties

Compound Name2-bromo-N,N-di(undecyl)acetamide
PubChem CID532885
Molecular FormulaC24H48BrNO
Molecular Weight446.56 g/mol
Exact Mass445.29
IUPAC Name2-bromo-N,N-di(undecyl)acetamide
SMILESCCCCCCCCCCCN(CCCCCCCCCCC)C(=O)CBr
InChIInChI=1S/C24H48BrNO/c1-3-5-7-9-11-13-15-17-19-21-26(24(27)23-25)22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3
InChIKeyGMTOKSHJAROLMG-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

N-bromoacetyl-n-tetradecylamine
CID 194607
Bromoacetamide, N,N-dioctyl-
CID 532882
N,N-Dioctylacetamide
CID 588477
Bromoacetamide, N,N-dihexyl-
CID 532878
Bromoacetamide, N,N-didecyl-
CID 532884
Pentanamide, N,N-dihexyl-5-bromo-
CID 532966
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-dioctyl-6-bromo-
CID 533338
Hexanamide, N,N-didecyl-6-bromo-
CID 533340
2-Bromo-n-octadecylacetamide
CID 18764640

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-di(undecyl)acetamide?
The IUPAC name of 2-bromo-N,N-di(undecyl)acetamide (CID 532885) is 2-bromo-N,N-di(undecyl)acetamide.
What is the SMILES notation for 2-bromo-N,N-di(undecyl)acetamide?
The canonical SMILES for 2-bromo-N,N-di(undecyl)acetamide is CCCCCCCCCCCN(CCCCCCCCCCC)C(=O)CBr.
What is the InChIKey of 2-bromo-N,N-di(undecyl)acetamide?
The InChIKey is GMTOKSHJAROLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48BrNO/c1-3-5-7-9-11-13-15-17-19-21-26(24(27)23-25)22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3.
What are the key properties of 2-bromo-N,N-di(undecyl)acetamide?
2-bromo-N,N-di(undecyl)acetamide 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 2-bromo-N,N-di(undecyl)acetamide is sourced from PubChem (CID 532885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).