[2-oxo-2-(4-phenylphenyl)ethyl] 4-(2-ethylanilino)-4-oxobutanoate

C26H25NO4 — CID 2584349

IUPAC[2-oxo-2-(4-phenylphenyl)ethyl] 4-(2-ethylanilino)-4-oxobutanoate
SMILESCCc1ccccc1NC(=O)CCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H25NO4/c1-2-19-8-6-7-11-23(19)27-25(29)16-17-26(30)31-18-24(28)22-14-12-21(13-15-22)20-9-4-3-5-10-20/h3-15H,2,16-18H2,1H3,(H,27,29)
InChIKeyFFUONLSVHGRQTF-UHFFFAOYSA-N
MW415.49 g/mol
LogP5.06
Rot. Bonds9

About [2-oxo-2-(4-phenylphenyl)ethyl] 4-(2-ethylanilino)-4-oxobutanoate

[2-oxo-2-(4-phenylphenyl)ethyl] 4-(2-ethylanilino)-4-oxobutanoate (PubChem CID 2584349) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylphenyl)ethyl] 4-(2-ethylanilino)-4-oxobutanoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylphenyl)ethyl] 4-(2-ethylanilino)-4-oxobutanoate
PubChem CID2584349
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name[2-oxo-2-(4-phenylphenyl)ethyl] 4-(2-ethylanilino)-4-oxobutanoate
SMILESCCc1ccccc1NC(=O)CCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H25NO4/c1-2-19-8-6-7-11-23(19)27-25(29)16-17-26(30)31-18-24(28)22-14-12-21(13-15-22)20-9-4-3-5-10-20/h3-15H,2,16-18H2,1H3,(H,27,29)
InChIKeyFFUONLSVHGRQTF-UHFFFAOYSA-N
XLogP5.06
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 2901381
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CID 747118
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CID 1730869
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CID 684408
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CID 902796
CID 902796
CID 955509
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CID 8220578
CID 8220578
CID 1918024
CID 1918024
CID 1730709
CID 1730709
CID 887497
CID 887497
CID 894181
CID 894181
CID 894520
CID 894520

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 4-(2-ethylanilino)-4-oxobutanoate?
The IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 4-(2-ethylanilino)-4-oxobutanoate (CID 2584349) is [2-oxo-2-(4-phenylphenyl)ethyl] 4-(2-ethylanilino)-4-oxobutanoate.
What is the SMILES notation for [2-oxo-2-(4-phenylphenyl)ethyl] 4-(2-ethylanilino)-4-oxobutanoate?
The canonical SMILES for [2-oxo-2-(4-phenylphenyl)ethyl] 4-(2-ethylanilino)-4-oxobutanoate is CCc1ccccc1NC(=O)CCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylphenyl)ethyl] 4-(2-ethylanilino)-4-oxobutanoate?
The InChIKey is FFUONLSVHGRQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4/c1-2-19-8-6-7-11-23(19)27-25(29)16-17-26(30)31-18-24(28)22-14-12-21(13-15-22)20-9-4-3-5-10-20/h3-15H,2,16-18H2,1H3,(H,27,29).
What are the key properties of [2-oxo-2-(4-phenylphenyl)ethyl] 4-(2-ethylanilino)-4-oxobutanoate?
[2-oxo-2-(4-phenylphenyl)ethyl] 4-(2-ethylanilino)-4-oxobutanoate has a molecular weight of 415.49 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylphenyl)ethyl] 4-(2-ethylanilino)-4-oxobutanoate is sourced from PubChem (CID 2584349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).