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

C21H17NO4 — CID 4604786

IUPAC[2-oxo-2-(2-phenylanilino)ethyl] 3-(furan-2-yl)prop-2-enoate
SMILESO=C(COC(=O)C=Cc1ccco1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H17NO4/c23-20(15-26-21(24)13-12-17-9-6-14-25-17)22-19-11-5-4-10-18(19)16-7-2-1-3-8-16/h1-14H,15H2,(H,22,23)
InChIKeyZMOYVINDXBZUBT-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.14
Rot. Bonds6

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

[2-oxo-2-(2-phenylanilino)ethyl] 3-(furan-2-yl)prop-2-enoate (PubChem CID 4604786) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylanilino)ethyl] 3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylanilino)ethyl] 3-(furan-2-yl)prop-2-enoate
PubChem CID4604786
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name[2-oxo-2-(2-phenylanilino)ethyl] 3-(furan-2-yl)prop-2-enoate
SMILESO=C(COC(=O)C=Cc1ccco1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H17NO4/c23-20(15-26-21(24)13-12-17-9-6-14-25-17)22-19-11-5-4-10-18(19)16-7-2-1-3-8-16/h1-14H,15H2,(H,22,23)
InChIKeyZMOYVINDXBZUBT-UHFFFAOYSA-N
XLogP4.14
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-oxo-2-(2-phenylanilino)ethyl] 3-(furan-2-yl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(4-phenylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7852106
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2506694
[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 4541807
[2-oxo-2-(2-phenylanilino)ethyl] (E)-3-(2-methylphenyl)prop-2-enoate
CID 7849552
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7852438
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 16595378
[2-oxo-2-(2-phenylanilino)ethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 29142790
[3-[3-(furan-2-yl)prop-2-enoyloxy]-2-oxopropyl] 3-(furan-2-yl)prop-2-enoate
CID 3400070
[2-(3,4-dichloroanilino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 5131929
methyl (2S)-2-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]-3-phenylpropanoate
CID 9010213
[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2380128
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 5146395

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 3-(furan-2-yl)prop-2-enoate?
The IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 3-(furan-2-yl)prop-2-enoate (CID 4604786) is [2-oxo-2-(2-phenylanilino)ethyl] 3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [2-oxo-2-(2-phenylanilino)ethyl] 3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [2-oxo-2-(2-phenylanilino)ethyl] 3-(furan-2-yl)prop-2-enoate is O=C(COC(=O)C=Cc1ccco1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylanilino)ethyl] 3-(furan-2-yl)prop-2-enoate?
The InChIKey is ZMOYVINDXBZUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c23-20(15-26-21(24)13-12-17-9-6-14-25-17)22-19-11-5-4-10-18(19)16-7-2-1-3-8-16/h1-14H,15H2,(H,22,23).
What are the key properties of [2-oxo-2-(2-phenylanilino)ethyl] 3-(furan-2-yl)prop-2-enoate?
[2-oxo-2-(2-phenylanilino)ethyl] 3-(furan-2-yl)prop-2-enoate has a molecular weight of 347.37 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylanilino)ethyl] 3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 4604786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).