N-benzylperoxy-N-phenylhydroxylamine

C13H13NO3 — CID 174413219

IUPACN-benzylperoxy-N-phenylhydroxylamine
SMILESON(OOCc1ccccc1)c1ccccc1
InChIInChI=1S/C13H13NO3/c15-14(13-9-5-2-6-10-13)17-16-11-12-7-3-1-4-8-12/h1-10,15H,11H2
InChIKeyHZVNKCJYDQDYMN-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.95
Rot. Bonds5

About N-benzylperoxy-N-phenylhydroxylamine

N-benzylperoxy-N-phenylhydroxylamine (PubChem CID 174413219) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-benzylperoxy-N-phenylhydroxylamine.

Molecular Properties

Compound NameN-benzylperoxy-N-phenylhydroxylamine
PubChem CID174413219
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC NameN-benzylperoxy-N-phenylhydroxylamine
SMILESON(OOCc1ccccc1)c1ccccc1
InChIInChI=1S/C13H13NO3/c15-14(13-9-5-2-6-10-13)17-16-11-12-7-3-1-4-8-12/h1-10,15H,11H2
InChIKeyHZVNKCJYDQDYMN-UHFFFAOYSA-N
XLogP2.95
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze N-benzylperoxy-N-phenylhydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-phenylhydroxylamine
CID 10241871
2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914
benzyl N-amino-N-phenylcarbamate
CID 54267520
3-oxo-N-phenyl-N-phenylmethoxybutanamide
CID 12589379
benzylperoxy(phenyl)borinic acid
CID 53421874
CID 66734377
CID 66734377
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
bis(benzylperoxy)-oxophosphanium
CID 22644121
acetylene;phenylmethoxysilane
CID 174934867
benzyl N-(N-phenylanilino)carbamate
CID 71360694
3-hydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 14585849
N-hydroxy-N-phenylmethoxyacetamide
CID 173249339

Frequently Asked Questions

What is the IUPAC name of N-benzylperoxy-N-phenylhydroxylamine?
The IUPAC name of N-benzylperoxy-N-phenylhydroxylamine (CID 174413219) is N-benzylperoxy-N-phenylhydroxylamine.
What is the SMILES notation for N-benzylperoxy-N-phenylhydroxylamine?
The canonical SMILES for N-benzylperoxy-N-phenylhydroxylamine is ON(OOCc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzylperoxy-N-phenylhydroxylamine?
The InChIKey is HZVNKCJYDQDYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-14(13-9-5-2-6-10-13)17-16-11-12-7-3-1-4-8-12/h1-10,15H,11H2.
What are the key properties of N-benzylperoxy-N-phenylhydroxylamine?
N-benzylperoxy-N-phenylhydroxylamine has a molecular weight of 231.25 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylperoxy-N-phenylhydroxylamine is sourced from PubChem (CID 174413219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).