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

C19H18ClNO3 — CID 2371691

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-chlorophenyl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1cccc(Cl)c1)NCCc1ccccc1
InChIInChI=1S/C19H18ClNO3/c20-17-8-4-7-16(13-17)9-10-19(23)24-14-18(22)21-12-11-15-5-2-1-3-6-15/h1-10,13H,11-12,14H2,(H,21,22)/b10-9+
InChIKeyMCCINXCAXRFPJR-MDZDMXLPSA-N
MW343.81 g/mol
LogP3.26
Rot. Bonds7

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

[2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-chlorophenyl)prop-2-enoate (PubChem CID 2371691) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-chlorophenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-chlorophenyl)prop-2-enoate
PubChem CID2371691
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-chlorophenyl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1cccc(Cl)c1)NCCc1ccccc1
InChIInChI=1S/C19H18ClNO3/c20-17-8-4-7-16(13-17)9-10-19(23)24-14-18(22)21-12-11-15-5-2-1-3-6-15/h1-10,13H,11-12,14H2,(H,21,22)/b10-9+
InChIKeyMCCINXCAXRFPJR-MDZDMXLPSA-N
XLogP3.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chlorophenyl)prop-2-enoate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-chlorophenyl)prop-2-enoate (CID 2371691) is [2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-chlorophenyl)prop-2-enoate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-chlorophenyl)prop-2-enoate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-chlorophenyl)prop-2-enoate is O=C(COC(=O)/C=C/c1cccc(Cl)c1)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-chlorophenyl)prop-2-enoate?
The InChIKey is MCCINXCAXRFPJR-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H18ClNO3/c20-17-8-4-7-16(13-17)9-10-19(23)24-14-18(22)21-12-11-15-5-2-1-3-6-15/h1-10,13H,11-12,14H2,(H,21,22)/b10-9+.
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-chlorophenyl)prop-2-enoate?
[2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-chlorophenyl)prop-2-enoate has a molecular weight of 343.81 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(3-chlorophenyl)prop-2-enoate is sourced from PubChem (CID 2371691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).