N-bromo-N-hydroxynonacosanamide

C29H58BrNO2 — CID 87682957

IUPACN-bromo-N-hydroxynonacosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(O)Br
InChIInChI=1S/C29H58BrNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(32)31(30)33/h33H,2-28H2,1H3
InChIKeyBREBJKWDAGUGHB-UHFFFAOYSA-N
MW532.69 g/mol
LogP11.07
Rot. Bonds27

About N-bromo-N-hydroxynonacosanamide

N-bromo-N-hydroxynonacosanamide (PubChem CID 87682957) has the molecular formula C29H58BrNO2 and a molecular weight of 532.69 g/mol. Its IUPAC name is N-bromo-N-hydroxynonacosanamide.

Molecular Properties

Compound NameN-bromo-N-hydroxynonacosanamide
PubChem CID87682957
Molecular FormulaC29H58BrNO2
Molecular Weight532.69 g/mol
Exact Mass531.37
IUPAC NameN-bromo-N-hydroxynonacosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(O)Br
InChIInChI=1S/C29H58BrNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(32)31(30)33/h33H,2-28H2,1H3
InChIKeyBREBJKWDAGUGHB-UHFFFAOYSA-N
XLogP11.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 511.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 87686971
N-bromo-N-hydroxytetradecanamide
CID 87684693
N-hexadecyl-N-hydroxyoctadecanamide
CID 150697655
N-hydroxy-N-methyloctadecanamide
CID 19818891
N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide
CID 88723391
N-chloro-N-hydroxyhentriacontanamide
CID 87683958
N-amino-N-hydroxydocosanamide
CID 87686885
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dipropylnonadecanamide
CID 12960009
N-hydroxy-N-iodopentacosanamide
CID 87683036
N,N-dioctyltetradecanamide
CID 169083302

Frequently Asked Questions

What is the IUPAC name of N-bromo-N-hydroxynonacosanamide?
The IUPAC name of N-bromo-N-hydroxynonacosanamide (CID 87682957) is N-bromo-N-hydroxynonacosanamide.
What is the SMILES notation for N-bromo-N-hydroxynonacosanamide?
The canonical SMILES for N-bromo-N-hydroxynonacosanamide is CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(O)Br.
What is the InChIKey of N-bromo-N-hydroxynonacosanamide?
The InChIKey is BREBJKWDAGUGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H58BrNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(32)31(30)33/h33H,2-28H2,1H3.
What are the key properties of N-bromo-N-hydroxynonacosanamide?
N-bromo-N-hydroxynonacosanamide has a molecular weight of 532.69 g/mol, XLogP of 11.07, 27 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-N-hydroxynonacosanamide is sourced from PubChem (CID 87682957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).