32-bromo-N-hydroxydotriacontanamide

C32H64BrNO2 — CID 87685342

IUPAC32-bromo-N-hydroxydotriacontanamide
SMILESO=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr)NO
InChIInChI=1S/C32H64BrNO2/c33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32(35)34-36/h36H,1-31H2,(H,34,35)
InChIKeyNVMOOTYJQLZBFS-UHFFFAOYSA-N
MW574.77 g/mol
LogP11.59
Rot. Bonds31

About 32-bromo-N-hydroxydotriacontanamide

32-bromo-N-hydroxydotriacontanamide (PubChem CID 87685342) has the molecular formula C32H64BrNO2 and a molecular weight of 574.77 g/mol. Its IUPAC name is 32-bromo-N-hydroxydotriacontanamide.

Molecular Properties

Compound Name32-bromo-N-hydroxydotriacontanamide
PubChem CID87685342
Molecular FormulaC32H64BrNO2
Molecular Weight574.77 g/mol
Exact Mass573.41
IUPAC Name32-bromo-N-hydroxydotriacontanamide
SMILESO=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr)NO
InChIInChI=1S/C32H64BrNO2/c33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32(35)34-36/h36H,1-31H2,(H,34,35)
InChIKeyNVMOOTYJQLZBFS-UHFFFAOYSA-N
XLogP11.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.77
LogP ≤ 511.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

20-bromo-N-hydroxyicosanamide
CID 87683991
ethane;N'-hydroxyoctanediamide
CID 144754010
20-(hydroxyamino)-20-oxoicosanoic acid
CID 87685101
13-(hydroxyamino)-13-oxotridecanoic acid
CID 21490419
N,16-dihydroxyhexadecanamide
CID 87686064
26-(hydroxyamino)-26-oxohexacosanoic acid
CID 87686862
11-bromo-N-[6-(11-bromoundecanoylamino)hexyl]undecanamide
CID 87848232
20-amino-N-hydroxyicosanamide
CID 87686702
5-bromo-N-methylpentanamide
CID 19971018
N-hydroxytridecanamide
CID 14122613
N-hydroxy-26-sulfanylhexacosanamide
CID 87681311
N-hydroxy-11-sulfanylundecanamide
CID 87682134

Frequently Asked Questions

What is the IUPAC name of 32-bromo-N-hydroxydotriacontanamide?
The IUPAC name of 32-bromo-N-hydroxydotriacontanamide (CID 87685342) is 32-bromo-N-hydroxydotriacontanamide.
What is the SMILES notation for 32-bromo-N-hydroxydotriacontanamide?
The canonical SMILES for 32-bromo-N-hydroxydotriacontanamide is O=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr)NO.
What is the InChIKey of 32-bromo-N-hydroxydotriacontanamide?
The InChIKey is NVMOOTYJQLZBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64BrNO2/c33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32(35)34-36/h36H,1-31H2,(H,34,35).
What are the key properties of 32-bromo-N-hydroxydotriacontanamide?
32-bromo-N-hydroxydotriacontanamide has a molecular weight of 574.77 g/mol, XLogP of 11.59, 31 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 32-bromo-N-hydroxydotriacontanamide is sourced from PubChem (CID 87685342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).