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

C17H17NO4 — CID 2364208

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccco1)NCCc1ccccc1
InChIInChI=1S/C17H17NO4/c19-16(18-11-10-14-5-2-1-3-6-14)13-22-17(20)9-8-15-7-4-12-21-15/h1-9,12H,10-11,13H2,(H,18,19)/b9-8+
InChIKeyHJVYHVIIQAUTJL-CMDGGOBGSA-N
MW299.33 g/mol
LogP2.19
Rot. Bonds7

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

[2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 2364208) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID2364208
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccco1)NCCc1ccccc1
InChIInChI=1S/C17H17NO4/c19-16(18-11-10-14-5-2-1-3-6-14)13-22-17(20)9-8-15-7-4-12-21-15/h1-9,12H,10-11,13H2,(H,18,19)/b9-8+
InChIKeyHJVYHVIIQAUTJL-CMDGGOBGSA-N
XLogP2.19
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.19
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-(furan-2-yl)prop-2-enoate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate (CID 2364208) is [2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate is O=C(COC(=O)/C=C/c1ccco1)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is HJVYHVIIQAUTJL-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H17NO4/c19-16(18-11-10-14-5-2-1-3-6-14)13-22-17(20)9-8-15-7-4-12-21-15/h1-9,12H,10-11,13H2,(H,18,19)/b9-8+.
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate?
[2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 299.33 g/mol, XLogP of 2.19, 7 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-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 2364208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).