[1-phenyl-1-[(E)-(1-phenyl-1-propanoyloxyethyl)diazenyl]ethyl] propanoate

C22H26N2O4 — CID 15577793

IUPAC[1-phenyl-1-[(E)-(1-phenyl-1-propanoyloxyethyl)diazenyl]ethyl] propanoate
SMILESCCC(=O)OC(C)(/N=N/C(C)(OC(=O)CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O4/c1-5-19(25)27-21(3,17-13-9-7-10-14-17)23-24-22(4,28-20(26)6-2)18-15-11-8-12-16-18/h7-16H,5-6H2,1-4H3/b24-23+
InChIKeyUMHDAMVBVVTRKK-WCWDXBQESA-N
MW382.46 g/mol
LogP5.09
Rot. Bonds8

About [1-phenyl-1-[(E)-(1-phenyl-1-propanoyloxyethyl)diazenyl]ethyl] propanoate

[1-phenyl-1-[(E)-(1-phenyl-1-propanoyloxyethyl)diazenyl]ethyl] propanoate (PubChem CID 15577793) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is [1-phenyl-1-[(E)-(1-phenyl-1-propanoyloxyethyl)diazenyl]ethyl] propanoate.

Molecular Properties

Compound Name[1-phenyl-1-[(E)-(1-phenyl-1-propanoyloxyethyl)diazenyl]ethyl] propanoate
PubChem CID15577793
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name[1-phenyl-1-[(E)-(1-phenyl-1-propanoyloxyethyl)diazenyl]ethyl] propanoate
SMILESCCC(=O)OC(C)(/N=N/C(C)(OC(=O)CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O4/c1-5-19(25)27-21(3,17-13-9-7-10-14-17)23-24-22(4,28-20(26)6-2)18-15-11-8-12-16-18/h7-16H,5-6H2,1-4H3/b24-23+
InChIKeyUMHDAMVBVVTRKK-WCWDXBQESA-N
XLogP5.09
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.09
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'}

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Frequently Asked Questions

What is the IUPAC name of [1-phenyl-1-[(E)-(1-phenyl-1-propanoyloxyethyl)diazenyl]ethyl] propanoate?
The IUPAC name of [1-phenyl-1-[(E)-(1-phenyl-1-propanoyloxyethyl)diazenyl]ethyl] propanoate (CID 15577793) is [1-phenyl-1-[(E)-(1-phenyl-1-propanoyloxyethyl)diazenyl]ethyl] propanoate.
What is the SMILES notation for [1-phenyl-1-[(E)-(1-phenyl-1-propanoyloxyethyl)diazenyl]ethyl] propanoate?
The canonical SMILES for [1-phenyl-1-[(E)-(1-phenyl-1-propanoyloxyethyl)diazenyl]ethyl] propanoate is CCC(=O)OC(C)(/N=N/C(C)(OC(=O)CC)c1ccccc1)c1ccccc1.
What is the InChIKey of [1-phenyl-1-[(E)-(1-phenyl-1-propanoyloxyethyl)diazenyl]ethyl] propanoate?
The InChIKey is UMHDAMVBVVTRKK-WCWDXBQESA-N. The full InChI is InChI=1S/C22H26N2O4/c1-5-19(25)27-21(3,17-13-9-7-10-14-17)23-24-22(4,28-20(26)6-2)18-15-11-8-12-16-18/h7-16H,5-6H2,1-4H3/b24-23+.
What are the key properties of [1-phenyl-1-[(E)-(1-phenyl-1-propanoyloxyethyl)diazenyl]ethyl] propanoate?
[1-phenyl-1-[(E)-(1-phenyl-1-propanoyloxyethyl)diazenyl]ethyl] propanoate has a molecular weight of 382.46 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-phenyl-1-[(E)-(1-phenyl-1-propanoyloxyethyl)diazenyl]ethyl] propanoate is sourced from PubChem (CID 15577793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).