[2-oxo-2-(4-phenylanilino)ethyl] 2-(2-hydroxyethylamino)benzoate

C23H22N2O4 — CID 7602381

IUPAC[2-oxo-2-(4-phenylanilino)ethyl] 2-(2-hydroxyethylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NCCO)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H22N2O4/c26-15-14-24-21-9-5-4-8-20(21)23(28)29-16-22(27)25-19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-13,24,26H,14-16H2,(H,25,27)
InChIKeyWYURKFLKAFMXCN-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.55
Rot. Bonds8

About [2-oxo-2-(4-phenylanilino)ethyl] 2-(2-hydroxyethylamino)benzoate

[2-oxo-2-(4-phenylanilino)ethyl] 2-(2-hydroxyethylamino)benzoate (PubChem CID 7602381) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylanilino)ethyl] 2-(2-hydroxyethylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylanilino)ethyl] 2-(2-hydroxyethylamino)benzoate
PubChem CID7602381
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name[2-oxo-2-(4-phenylanilino)ethyl] 2-(2-hydroxyethylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NCCO)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H22N2O4/c26-15-14-24-21-9-5-4-8-20(21)23(28)29-16-22(27)25-19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-13,24,26H,14-16H2,(H,25,27)
InChIKeyWYURKFLKAFMXCN-UHFFFAOYSA-N
XLogP3.55
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-acetylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7603228
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 40955708
[2-(3-chloroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 2386420
[2-(3-ethylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602317
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602415
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602604
[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229255
[2-(4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542886
[2-oxo-2-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 2-(2-hydroxyethylamino)benzoate
CID 25163153
[2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 17423024
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7953752
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602411

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylanilino)ethyl] 2-(2-hydroxyethylamino)benzoate?
The IUPAC name of [2-oxo-2-(4-phenylanilino)ethyl] 2-(2-hydroxyethylamino)benzoate (CID 7602381) is [2-oxo-2-(4-phenylanilino)ethyl] 2-(2-hydroxyethylamino)benzoate.
What is the SMILES notation for [2-oxo-2-(4-phenylanilino)ethyl] 2-(2-hydroxyethylamino)benzoate?
The canonical SMILES for [2-oxo-2-(4-phenylanilino)ethyl] 2-(2-hydroxyethylamino)benzoate is O=C(COC(=O)c1ccccc1NCCO)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylanilino)ethyl] 2-(2-hydroxyethylamino)benzoate?
The InChIKey is WYURKFLKAFMXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c26-15-14-24-21-9-5-4-8-20(21)23(28)29-16-22(27)25-19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-13,24,26H,14-16H2,(H,25,27).
What are the key properties of [2-oxo-2-(4-phenylanilino)ethyl] 2-(2-hydroxyethylamino)benzoate?
[2-oxo-2-(4-phenylanilino)ethyl] 2-(2-hydroxyethylamino)benzoate has a molecular weight of 390.44 g/mol, XLogP of 3.55, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylanilino)ethyl] 2-(2-hydroxyethylamino)benzoate is sourced from PubChem (CID 7602381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).