[2-oxo-2-(4-phenylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate

C21H17NO4 — CID 7852106

IUPAC[2-oxo-2-(4-phenylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccco1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H17NO4/c23-20(15-26-21(24)13-12-19-7-4-14-25-19)22-18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-14H,15H2,(H,22,23)/b13-12+
InChIKeyXIENSYYHUCZNCB-OUKQBFOZSA-N
MW347.37 g/mol
LogP4.14
Rot. Bonds6

About [2-oxo-2-(4-phenylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate

[2-oxo-2-(4-phenylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 7852106) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID7852106
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name[2-oxo-2-(4-phenylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccco1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H17NO4/c23-20(15-26-21(24)13-12-19-7-4-14-25-19)22-18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-14H,15H2,(H,22,23)/b13-12+
InChIKeyXIENSYYHUCZNCB-OUKQBFOZSA-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'}

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Related Compounds

[2-oxo-2-(2-phenylanilino)ethyl] 3-(furan-2-yl)prop-2-enoate
CID 4604786
[2-oxo-2-[4-(N-propan-2-ylanilino)anilino]ethyl] 3-(furan-2-yl)prop-2-enoate
CID 4655186
[2-(3,4-dichloroanilino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 5131929
[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 4541807
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 16595378
[3-[3-(furan-2-yl)prop-2-enoyloxy]-2-oxopropyl] 3-(furan-2-yl)prop-2-enoate
CID 3400070
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2506694
bis(2-anilino-2-oxoethyl) (E)-but-2-enedioate
CID 9010738
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
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 9010109

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of [2-oxo-2-(4-phenylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate (CID 7852106) is [2-oxo-2-(4-phenylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [2-oxo-2-(4-phenylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [2-oxo-2-(4-phenylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate is O=C(COC(=O)/C=C/c1ccco1)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is XIENSYYHUCZNCB-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H17NO4/c23-20(15-26-21(24)13-12-19-7-4-14-25-19)22-18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-14H,15H2,(H,22,23)/b13-12+.
What are the key properties of [2-oxo-2-(4-phenylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate?
[2-oxo-2-(4-phenylanilino)ethyl] (E)-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-(4-phenylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 7852106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).