[2-(4-acetylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate

C19H20N2O5 — CID 7603228

IUPAC[2-(4-acetylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2NCCO)cc1
InChIInChI=1S/C19H20N2O5/c1-13(23)14-6-8-15(9-7-14)21-18(24)12-26-19(25)16-4-2-3-5-17(16)20-10-11-22/h2-9,20,22H,10-12H2,1H3,(H,21,24)
InChIKeyJRQVUZSRVGEVBY-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.09
Rot. Bonds8

About [2-(4-acetylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate

[2-(4-acetylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate (PubChem CID 7603228) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is [2-(4-acetylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate.

Molecular Properties

Compound Name[2-(4-acetylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
PubChem CID7603228
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name[2-(4-acetylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2NCCO)cc1
InChIInChI=1S/C19H20N2O5/c1-13(23)14-6-8-15(9-7-14)21-18(24)12-26-19(25)16-4-2-3-5-17(16)20-10-11-22/h2-9,20,22H,10-12H2,1H3,(H,21,24)
InChIKeyJRQVUZSRVGEVBY-UHFFFAOYSA-N
XLogP2.09
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(4-phenylanilino)ethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602381
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 40955708
ethyl 2-[[2-(4-acetylanilino)-2-oxoethyl]amino]benzoate
CID 109009916
[2-(3-ethylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602317
[2-(3-chloroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 2386420
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7953752
[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-acetylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578372
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602411
[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

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate (CID 7603228) is [2-(4-acetylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate.
What is the SMILES notation for [2-(4-acetylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The canonical SMILES for [2-(4-acetylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate is CC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2NCCO)cc1.
What is the InChIKey of [2-(4-acetylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The InChIKey is JRQVUZSRVGEVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-13(23)14-6-8-15(9-7-14)21-18(24)12-26-19(25)16-4-2-3-5-17(16)20-10-11-22/h2-9,20,22H,10-12H2,1H3,(H,21,24).
What are the key properties of [2-(4-acetylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
[2-(4-acetylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate has a molecular weight of 356.38 g/mol, XLogP of 2.09, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate is sourced from PubChem (CID 7603228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).