[2-(3-ethylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate

C19H22N2O4 — CID 7602317

IUPAC[2-(3-ethylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
SMILESCCc1cccc(NC(=O)COC(=O)c2ccccc2NCCO)c1
InChIInChI=1S/C19H22N2O4/c1-2-14-6-5-7-15(12-14)21-18(23)13-25-19(24)16-8-3-4-9-17(16)20-10-11-22/h3-9,12,20,22H,2,10-11,13H2,1H3,(H,21,23)
InChIKeyHBKYPVHUUQJUMZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.45
Rot. Bonds8

About [2-(3-ethylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate

[2-(3-ethylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate (PubChem CID 7602317) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is [2-(3-ethylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate.

Molecular Properties

Compound Name[2-(3-ethylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
PubChem CID7602317
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name[2-(3-ethylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
SMILESCCc1cccc(NC(=O)COC(=O)c2ccccc2NCCO)c1
InChIInChI=1S/C19H22N2O4/c1-2-14-6-5-7-15(12-14)21-18(23)13-25-19(24)16-8-3-4-9-17(16)20-10-11-22/h3-9,12,20,22H,2,10-11,13H2,1H3,(H,21,23)
InChIKeyHBKYPVHUUQJUMZ-UHFFFAOYSA-N
XLogP2.45
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-chloroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 2386420
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 40955708
[2-(4-acetylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7603228
[2-oxo-2-(4-phenylanilino)ethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602381
[2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 7764296
[2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 8606058
[2-(3-ethylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7501317
[2-(3-cyanoanilino)-2-oxoethyl] 2-(butylamino)benzoate
CID 7152462
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602604
[2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 40955722
[2-(3-ethylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8967009
[2-(3-ethylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 2513141

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate (CID 7602317) is [2-(3-ethylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate.
What is the SMILES notation for [2-(3-ethylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The canonical SMILES for [2-(3-ethylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate is CCc1cccc(NC(=O)COC(=O)c2ccccc2NCCO)c1.
What is the InChIKey of [2-(3-ethylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The InChIKey is HBKYPVHUUQJUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-2-14-6-5-7-15(12-14)21-18(23)13-25-19(24)16-8-3-4-9-17(16)20-10-11-22/h3-9,12,20,22H,2,10-11,13H2,1H3,(H,21,23).
What are the key properties of [2-(3-ethylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
[2-(3-ethylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate has a molecular weight of 342.40 g/mol, XLogP of 2.45, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate is sourced from PubChem (CID 7602317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).