[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate

C27H21NO5 — CID 17259515

IUPAC[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate
SMILESO=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H21NO5/c29-26(28-21-13-17-25(18-14-21)33-23-9-5-2-6-10-23)19-31-27(30)20-11-15-24(16-12-20)32-22-7-3-1-4-8-22/h1-18H,19H2,(H,28,29)
InChIKeyZSQOBGNGSOMZAC-UHFFFAOYSA-N
MW439.47 g/mol
LogP6.07
Rot. Bonds8

About [2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate

[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate (PubChem CID 17259515) has the molecular formula C27H21NO5 and a molecular weight of 439.47 g/mol. Its IUPAC name is [2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate
PubChem CID17259515
Molecular FormulaC27H21NO5
Molecular Weight439.47 g/mol
Exact Mass439.14
IUPAC Name[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate
SMILESO=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H21NO5/c29-26(28-21-13-17-25(18-14-21)33-23-9-5-2-6-10-23)19-31-27(30)20-11-15-24(16-12-20)32-22-7-3-1-4-8-22/h1-18H,19H2,(H,28,29)
InChIKeyZSQOBGNGSOMZAC-UHFFFAOYSA-N
XLogP6.07
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.47
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-phenoxyanilino)ethyl] 4-(carbamoylamino)benzoate
CID 2527993
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate
CID 2387838
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-phenoxybenzoate
CID 7859725
(2-anilino-2-oxoethyl) 3-phenoxybenzoate
CID 2511602
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 4-phenoxybenzoate
CID 2503162
[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] 4-aminobenzoate
CID 7781322
[2-oxo-2-(3-phenoxyanilino)ethyl] 4-iodobenzoate
CID 2388758
(2-anilino-2-oxoethyl) 4-iodobenzoate
CID 2505448
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
CID 2426200
[2-(2-methylsulfanylanilino)-2-oxoethyl] 4-phenoxybenzoate
CID 7859755
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 44637901
2-methylpropyl 4-[[5-oxo-5-[2-oxo-2-(4-phenoxyanilino)ethoxy]pentanoyl]amino]benzoate
CID 17259886

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate?
The IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate (CID 17259515) is [2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate.
What is the SMILES notation for [2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate?
The canonical SMILES for [2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate is O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate?
The InChIKey is ZSQOBGNGSOMZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO5/c29-26(28-21-13-17-25(18-14-21)33-23-9-5-2-6-10-23)19-31-27(30)20-11-15-24(16-12-20)32-22-7-3-1-4-8-22/h1-18H,19H2,(H,28,29).
What are the key properties of [2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate?
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate has a molecular weight of 439.47 g/mol, XLogP of 6.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate is sourced from PubChem (CID 17259515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).