[1-[(E)-(1-acetyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] acetate

C20H22N2O4 — CID 12826965

IUPAC[1-[(E)-(1-acetyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] acetate
SMILESCC(=O)OC(C)(/N=N/C(C)(OC(C)=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-15(23)25-19(3,17-11-7-5-8-12-17)21-22-20(4,26-16(2)24)18-13-9-6-10-14-18/h5-14H,1-4H3/b22-21+
InChIKeyALBJGICXDBJZGK-QURGRASLSA-N
MW354.41 g/mol
LogP4.31
Rot. Bonds6

About [1-[(E)-(1-acetyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] acetate

[1-[(E)-(1-acetyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] acetate (PubChem CID 12826965) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [1-[(E)-(1-acetyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] acetate.

Molecular Properties

Compound Name[1-[(E)-(1-acetyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] acetate
PubChem CID12826965
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[1-[(E)-(1-acetyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] acetate
SMILESCC(=O)OC(C)(/N=N/C(C)(OC(C)=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-15(23)25-19(3,17-11-7-5-8-12-17)21-22-20(4,26-16(2)24)18-13-9-6-10-14-18/h5-14H,1-4H3/b22-21+
InChIKeyALBJGICXDBJZGK-QURGRASLSA-N
XLogP4.31
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze [1-[(E)-(1-acetyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] acetate 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

[(e)-Methyldiazenyl](diphenyl)methyl acetate
CID 243550
[Diphenyl(phenyldiazenyl)methyl] acetate
CID 243551
[[(E)-ethoxycarbonyldiazenyl]-diphenylmethyl] acetate
CID 5474376
(E)-1-tert-Butyl-2-(1-methoxy-1-phenylethyl)diazene
CID 14685408
[1-[(1-Acetyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] acetate
CID 53648564
[1-[(E)-(1-acetyloxy-1-phenylpropyl)diazenyl]-1-phenylpropyl] acetate
CID 12826972
Cyclohexyl-(1-methoxy-1-phenylethyl)diazene
CID 14685407
Benzyl-(1-methoxy-1-phenylethyl)diazene
CID 14685409
[1-[(E)-(1-formyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] formate
CID 15577792
[1-phenyl-1-[(E)-(1-phenyl-1-propanoyloxyethyl)diazenyl]ethyl] propanoate
CID 15577793
[1-[(E)-(1-butanoyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] butanoate
CID 15577794
[1-[(E)-[1-(2-methylpropanoyloxy)-1-phenylethyl]diazenyl]-1-phenylethyl] 2-methylpropanoate
CID 15577795

Frequently Asked Questions

What is the IUPAC name of [1-[(E)-(1-acetyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] acetate?
The IUPAC name of [1-[(E)-(1-acetyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] acetate (CID 12826965) is [1-[(E)-(1-acetyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] acetate.
What is the SMILES notation for [1-[(E)-(1-acetyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] acetate?
The canonical SMILES for [1-[(E)-(1-acetyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] acetate is CC(=O)OC(C)(/N=N/C(C)(OC(C)=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [1-[(E)-(1-acetyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] acetate?
The InChIKey is ALBJGICXDBJZGK-QURGRASLSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-15(23)25-19(3,17-11-7-5-8-12-17)21-22-20(4,26-16(2)24)18-13-9-6-10-14-18/h5-14H,1-4H3/b22-21+.
What are the key properties of [1-[(E)-(1-acetyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] acetate?
[1-[(E)-(1-acetyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] acetate has a molecular weight of 354.41 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-(1-acetyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] acetate is sourced from PubChem (CID 12826965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).