[2-oxo-2-(3-phenyltellanylpropylamino)ethyl] (E)-3-phenylprop-2-enoate

C20H21NO3Te — CID 118706168

IUPAC[2-oxo-2-(3-phenyltellanylpropylamino)ethyl] (E)-3-phenylprop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccccc1)NCCC[Te]c1ccccc1
InChIInChI=1S/C20H21NO3Te/c22-19(21-14-7-15-25-18-10-5-2-6-11-18)16-24-20(23)13-12-17-8-3-1-4-9-17/h1-6,8-13H,7,14-16H2,(H,21,22)/b13-12+
InChIKeyCOJYSSBEHPTGRL-OUKQBFOZSA-N
MW450.99 g/mol
LogP2.20
Rot. Bonds9

About [2-oxo-2-(3-phenyltellanylpropylamino)ethyl] (E)-3-phenylprop-2-enoate

[2-oxo-2-(3-phenyltellanylpropylamino)ethyl] (E)-3-phenylprop-2-enoate (PubChem CID 118706168) has the molecular formula C20H21NO3Te and a molecular weight of 450.99 g/mol. Its IUPAC name is [2-oxo-2-(3-phenyltellanylpropylamino)ethyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-(3-phenyltellanylpropylamino)ethyl] (E)-3-phenylprop-2-enoate
PubChem CID118706168
Molecular FormulaC20H21NO3Te
Molecular Weight450.99 g/mol
Exact Mass453.06
IUPAC Name[2-oxo-2-(3-phenyltellanylpropylamino)ethyl] (E)-3-phenylprop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccccc1)NCCC[Te]c1ccccc1
InChIInChI=1S/C20H21NO3Te/c22-19(21-14-7-15-25-18-10-5-2-6-11-18)16-24-20(23)13-12-17-8-3-1-4-9-17/h1-6,8-13H,7,14-16H2,(H,21,22)/b13-12+
InChIKeyCOJYSSBEHPTGRL-OUKQBFOZSA-N
XLogP2.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.99
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-phenyltellanylpropylamino)ethyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [2-oxo-2-(3-phenyltellanylpropylamino)ethyl] (E)-3-phenylprop-2-enoate (CID 118706168) is [2-oxo-2-(3-phenyltellanylpropylamino)ethyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [2-oxo-2-(3-phenyltellanylpropylamino)ethyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [2-oxo-2-(3-phenyltellanylpropylamino)ethyl] (E)-3-phenylprop-2-enoate is O=C(COC(=O)/C=C/c1ccccc1)NCCC[Te]c1ccccc1.
What is the InChIKey of [2-oxo-2-(3-phenyltellanylpropylamino)ethyl] (E)-3-phenylprop-2-enoate?
The InChIKey is COJYSSBEHPTGRL-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H21NO3Te/c22-19(21-14-7-15-25-18-10-5-2-6-11-18)16-24-20(23)13-12-17-8-3-1-4-9-17/h1-6,8-13H,7,14-16H2,(H,21,22)/b13-12+.
What are the key properties of [2-oxo-2-(3-phenyltellanylpropylamino)ethyl] (E)-3-phenylprop-2-enoate?
[2-oxo-2-(3-phenyltellanylpropylamino)ethyl] (E)-3-phenylprop-2-enoate has a molecular weight of 450.99 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-phenyltellanylpropylamino)ethyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 118706168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).