[2-oxo-2-[2-[[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]amino]ethylamino]ethyl] (E)-3-phenylprop-2-enoate

C24H24N2O6 — CID 24687953

IUPAC[2-oxo-2-[2-[[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]amino]ethylamino]ethyl] (E)-3-phenylprop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccccc1)NCCNC(=O)COC(=O)/C=C/c1ccccc1
InChIInChI=1S/C24H24N2O6/c27-21(17-31-23(29)13-11-19-7-3-1-4-8-19)25-15-16-26-22(28)18-32-24(30)14-12-20-9-5-2-6-10-20/h1-14H,15-18H2,(H,25,27)(H,26,28)/b13-11+,14-12+
InChIKeyXYFVTJJIFYIQQP-PHEQNACWSA-N
MW436.46 g/mol
LogP1.73
Rot. Bonds11

About [2-oxo-2-[2-[[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]amino]ethylamino]ethyl] (E)-3-phenylprop-2-enoate

[2-oxo-2-[2-[[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]amino]ethylamino]ethyl] (E)-3-phenylprop-2-enoate (PubChem CID 24687953) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is [2-oxo-2-[2-[[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]amino]ethylamino]ethyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-[2-[[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]amino]ethylamino]ethyl] (E)-3-phenylprop-2-enoate
PubChem CID24687953
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Name[2-oxo-2-[2-[[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]amino]ethylamino]ethyl] (E)-3-phenylprop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccccc1)NCCNC(=O)COC(=O)/C=C/c1ccccc1
InChIInChI=1S/C24H24N2O6/c27-21(17-31-23(29)13-11-19-7-3-1-4-8-19)25-15-16-26-22(28)18-32-24(30)14-12-20-9-5-2-6-10-20/h1-14H,15-18H2,(H,25,27)(H,26,28)/b13-11+,14-12+
InChIKeyXYFVTJJIFYIQQP-PHEQNACWSA-N
XLogP1.73
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[2-[[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]amino]ethylamino]ethyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [2-oxo-2-[2-[[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]amino]ethylamino]ethyl] (E)-3-phenylprop-2-enoate (CID 24687953) is [2-oxo-2-[2-[[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]amino]ethylamino]ethyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [2-oxo-2-[2-[[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]amino]ethylamino]ethyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [2-oxo-2-[2-[[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]amino]ethylamino]ethyl] (E)-3-phenylprop-2-enoate is O=C(COC(=O)/C=C/c1ccccc1)NCCNC(=O)COC(=O)/C=C/c1ccccc1.
What is the InChIKey of [2-oxo-2-[2-[[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]amino]ethylamino]ethyl] (E)-3-phenylprop-2-enoate?
The InChIKey is XYFVTJJIFYIQQP-PHEQNACWSA-N. The full InChI is InChI=1S/C24H24N2O6/c27-21(17-31-23(29)13-11-19-7-3-1-4-8-19)25-15-16-26-22(28)18-32-24(30)14-12-20-9-5-2-6-10-20/h1-14H,15-18H2,(H,25,27)(H,26,28)/b13-11+,14-12+.
What are the key properties of [2-oxo-2-[2-[[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]amino]ethylamino]ethyl] (E)-3-phenylprop-2-enoate?
[2-oxo-2-[2-[[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]amino]ethylamino]ethyl] (E)-3-phenylprop-2-enoate has a molecular weight of 436.46 g/mol, XLogP of 1.73, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-[[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]amino]ethylamino]ethyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 24687953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).