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

C22H19NO5 — CID 2426200

IUPAC[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H19NO5/c24-19-10-6-17(7-11-19)22(26)28-15-21(25)23-18-8-12-20(13-9-18)27-14-16-4-2-1-3-5-16/h1-13,24H,14-15H2,(H,23,25)
InChIKeyLKQVJJIJTZFJDM-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.77
Rot. Bonds7

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

[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate (PubChem CID 2426200) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
PubChem CID2426200
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC Name[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H19NO5/c24-19-10-6-17(7-11-19)22(26)28-15-21(25)23-18-8-12-20(13-9-18)27-14-16-4-2-1-3-5-16/h1-13,24H,14-15H2,(H,23,25)
InChIKeyLKQVJJIJTZFJDM-UHFFFAOYSA-N
XLogP3.77
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate
CID 7717087
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7149521
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7628986
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate
CID 2387838
methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
CID 7950516
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3,5-dimethoxybenzoate
CID 7727286
[2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264093
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate
CID 7703196
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] pyridine-2-carboxylate
CID 7866583
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264252
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133676
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate
CID 17259515

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate?
The IUPAC name of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate (CID 2426200) is [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate?
The InChIKey is LKQVJJIJTZFJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5/c24-19-10-6-17(7-11-19)22(26)28-15-21(25)23-18-8-12-20(13-9-18)27-14-16-4-2-1-3-5-16/h1-13,24H,14-15H2,(H,23,25).
What are the key properties of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate?
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate has a molecular weight of 377.40 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate is sourced from PubChem (CID 2426200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).