[2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate

C20H21NO4 — CID 2364319

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
SMILESCOc1cccc(/C=C/C(=O)OCC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C20H21NO4/c1-24-18-9-5-8-17(14-18)10-11-20(23)25-15-19(22)21-13-12-16-6-3-2-4-7-16/h2-11,14H,12-13,15H2,1H3,(H,21,22)/b11-10+
InChIKeyFIMABKIZDJJURI-ZHACJKMWSA-N
MW339.39 g/mol
LogP2.61
Rot. Bonds8

About [2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate

[2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate (PubChem CID 2364319) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
PubChem CID2364319
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
SMILESCOc1cccc(/C=C/C(=O)OCC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C20H21NO4/c1-24-18-9-5-8-17(14-18)10-11-20(23)25-15-19(22)21-13-12-16-6-3-2-4-7-16/h2-11,14H,12-13,15H2,1H3,(H,21,22)/b11-10+
InChIKeyFIMABKIZDJJURI-ZHACJKMWSA-N
XLogP2.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-phenylethylamino)ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate (CID 2364319) is [2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate is COc1cccc(/C=C/C(=O)OCC(=O)NCCc2ccccc2)c1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate?
The InChIKey is FIMABKIZDJJURI-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H21NO4/c1-24-18-9-5-8-17(14-18)10-11-20(23)25-15-19(22)21-13-12-16-6-3-2-4-7-16/h2-11,14H,12-13,15H2,1H3,(H,21,22)/b11-10+.
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate?
[2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate has a molecular weight of 339.39 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 2364319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).