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

C21H17NO5 — CID 2387838

IUPAC[2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H17NO5/c23-17-10-6-15(7-11-17)21(25)26-14-20(24)22-16-8-12-19(13-9-16)27-18-4-2-1-3-5-18/h1-13,23H,14H2,(H,22,24)
InChIKeyNYIFJYYSBKPMGA-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.98
Rot. Bonds6

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

[2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate (PubChem CID 2387838) has the molecular formula C21H17NO5 and a molecular weight of 363.37 g/mol. Its IUPAC name is [2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate
PubChem CID2387838
Molecular FormulaC21H17NO5
Molecular Weight363.37 g/mol
Exact Mass363.11
IUPAC Name[2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H17NO5/c23-17-10-6-15(7-11-17)21(25)26-14-20(24)22-16-8-12-19(13-9-16)27-18-4-2-1-3-5-18/h1-13,23H,14H2,(H,22,24)
InChIKeyNYIFJYYSBKPMGA-UHFFFAOYSA-N
XLogP3.98
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate
CID 17259515
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-(carbamoylamino)benzoate
CID 2527993
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
CID 2426200
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-phenoxybenzoate
CID 7859725
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-hydroxyphenyl)acetate
CID 8671886
(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-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133676
[2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 2602039
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133669
[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] 4-aminobenzoate
CID 7781322
[2-oxo-2-(3-phenoxyanilino)ethyl] 4-iodobenzoate
CID 2388758

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate?
The IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate (CID 2387838) is [2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate?
The InChIKey is NYIFJYYSBKPMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO5/c23-17-10-6-15(7-11-17)21(25)26-14-20(24)22-16-8-12-19(13-9-16)27-18-4-2-1-3-5-18/h1-13,23H,14H2,(H,22,24).
What are the key properties of [2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate?
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate has a molecular weight of 363.37 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate is sourced from PubChem (CID 2387838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).