(2-methyl-3-phenyl-2-phenyldiazenylpropyl) acetate

C18H20N2O2 — CID 135026274

IUPAC(2-methyl-3-phenyl-2-phenyldiazenylpropyl) acetate
SMILESCC(=O)OCC(C)(Cc1ccccc1)/N=N/c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-15(21)22-14-18(2,13-16-9-5-3-6-10-16)20-19-17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3/b20-19+
InChIKeyWZCGUMLHYGRZTK-FMQUCBEESA-N
MW296.37 g/mol
LogP4.33
Rot. Bonds6

About (2-methyl-3-phenyl-2-phenyldiazenylpropyl) acetate

(2-methyl-3-phenyl-2-phenyldiazenylpropyl) acetate (PubChem CID 135026274) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2-methyl-3-phenyl-2-phenyldiazenylpropyl) acetate.

Molecular Properties

Compound Name(2-methyl-3-phenyl-2-phenyldiazenylpropyl) acetate
PubChem CID135026274
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(2-methyl-3-phenyl-2-phenyldiazenylpropyl) acetate
SMILESCC(=O)OCC(C)(Cc1ccccc1)/N=N/c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-15(21)22-14-18(2,13-16-9-5-3-6-10-16)20-19-17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3/b20-19+
InChIKeyWZCGUMLHYGRZTK-FMQUCBEESA-N
XLogP4.33
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.33
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'}

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Related Compounds

Ethyl 5-(3-azidophenyl)-2-phenylpentanoate
CID 53238119
Ethyl 5-(4-azidophenyl)-2-phenylpentanoate
CID 53238346
Ethyl 4-(3-azidophenyl)-2-phenylbutanoate
CID 53238347
Ethyl 4-(4-azidophenyl)-2-phenylbutanoate
CID 53238348
[3-[4-(Trifluoromethyl)phenyl]-2-[[4-(trifluoromethyl)phenyl]diazenyl]propyl] acetate
CID 11847398
[3-(4-Fluorophenyl)-2-[(4-fluorophenyl)diazenyl]-2-methylpropyl] acetate
CID 101867443
5-Phenyl-3H-1,2-benzodiazepine-3-carboxylic acid ethyl ester
CID 14782994
[2-(4-Methylphenyl)-1-[(4-methylphenyl)diazenyl]ethyl] acetate
CID 15013130
Ethyl 3-benzylindazole-3-carboxylate
CID 24767761
(3-Phenyl-2-phenyldiazenylpropyl) acetate
CID 102256502
Methyl phenyliminophenylalaninate
CID 129842725
2-[Benzyl(phenyldiazenyl)amino]ethyl acetate
CID 134984715

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-phenyl-2-phenyldiazenylpropyl) acetate?
The IUPAC name of (2-methyl-3-phenyl-2-phenyldiazenylpropyl) acetate (CID 135026274) is (2-methyl-3-phenyl-2-phenyldiazenylpropyl) acetate.
What is the SMILES notation for (2-methyl-3-phenyl-2-phenyldiazenylpropyl) acetate?
The canonical SMILES for (2-methyl-3-phenyl-2-phenyldiazenylpropyl) acetate is CC(=O)OCC(C)(Cc1ccccc1)/N=N/c1ccccc1.
What is the InChIKey of (2-methyl-3-phenyl-2-phenyldiazenylpropyl) acetate?
The InChIKey is WZCGUMLHYGRZTK-FMQUCBEESA-N. The full InChI is InChI=1S/C18H20N2O2/c1-15(21)22-14-18(2,13-16-9-5-3-6-10-16)20-19-17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3/b20-19+.
What are the key properties of (2-methyl-3-phenyl-2-phenyldiazenylpropyl) acetate?
(2-methyl-3-phenyl-2-phenyldiazenylpropyl) acetate has a molecular weight of 296.37 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-phenyl-2-phenyldiazenylpropyl) acetate is sourced from PubChem (CID 135026274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).