2-[benzyl(phenyldiazenyl)amino]ethyl acetate

C17H19N3O2 — CID 134984715

IUPAC2-[benzyl(phenyldiazenyl)amino]ethyl acetate
SMILESCC(=O)OCCN(Cc1ccccc1)/N=N/c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-15(21)22-13-12-20(14-16-8-4-2-5-9-16)19-18-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3/b19-18+
InChIKeyDKAZDMVJBHBEFR-VHEBQXMUSA-N
MW297.36 g/mol
LogP3.75
Rot. Bonds7

About 2-[benzyl(phenyldiazenyl)amino]ethyl acetate

2-[benzyl(phenyldiazenyl)amino]ethyl acetate (PubChem CID 134984715) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[benzyl(phenyldiazenyl)amino]ethyl acetate.

Molecular Properties

Compound Name2-[benzyl(phenyldiazenyl)amino]ethyl acetate
PubChem CID134984715
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-[benzyl(phenyldiazenyl)amino]ethyl acetate
SMILESCC(=O)OCCN(Cc1ccccc1)/N=N/c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-15(21)22-13-12-20(14-16-8-4-2-5-9-16)19-18-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3/b19-18+
InChIKeyDKAZDMVJBHBEFR-VHEBQXMUSA-N
XLogP3.75
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[benzyl(phenyldiazenyl)amino]ethyl acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(phenyldiazenyl)amino]ethyl acetate?
The IUPAC name of 2-[benzyl(phenyldiazenyl)amino]ethyl acetate (CID 134984715) is 2-[benzyl(phenyldiazenyl)amino]ethyl acetate.
What is the SMILES notation for 2-[benzyl(phenyldiazenyl)amino]ethyl acetate?
The canonical SMILES for 2-[benzyl(phenyldiazenyl)amino]ethyl acetate is CC(=O)OCCN(Cc1ccccc1)/N=N/c1ccccc1.
What is the InChIKey of 2-[benzyl(phenyldiazenyl)amino]ethyl acetate?
The InChIKey is DKAZDMVJBHBEFR-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-15(21)22-13-12-20(14-16-8-4-2-5-9-16)19-18-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3/b19-18+.
What are the key properties of 2-[benzyl(phenyldiazenyl)amino]ethyl acetate?
2-[benzyl(phenyldiazenyl)amino]ethyl acetate has a molecular weight of 297.36 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(phenyldiazenyl)amino]ethyl acetate is sourced from PubChem (CID 134984715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).