[2-(4-ethylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate

C18H19NO4 — CID 2611776

IUPAC[2-(4-ethylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCCc1ccc(NC(=O)COC(=O)c2ccc(C)cc2O)cc1
InChIInChI=1S/C18H19NO4/c1-3-13-5-7-14(8-6-13)19-17(21)11-23-18(22)15-9-4-12(2)10-16(15)20/h4-10,20H,3,11H2,1-2H3,(H,19,21)
InChIKeyNJMPZGNVIJXLMM-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.06
Rot. Bonds5

About [2-(4-ethylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate

[2-(4-ethylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate (PubChem CID 2611776) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [2-(4-ethylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name[2-(4-ethylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
PubChem CID2611776
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[2-(4-ethylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCCc1ccc(NC(=O)COC(=O)c2ccc(C)cc2O)cc1
InChIInChI=1S/C18H19NO4/c1-3-13-5-7-14(8-6-13)19-17(21)11-23-18(22)15-9-4-12(2)10-16(15)20/h4-10,20H,3,11H2,1-2H3,(H,19,21)
InChIKeyNJMPZGNVIJXLMM-UHFFFAOYSA-N
XLogP3.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-bromoanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611638
[2-(4-nitroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7568558
[2-(3-chloroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611767
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611502
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-hydroxy-4-methylbenzoate
CID 2611743
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 7567381
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 8954822
[2-(4-acetamidophenyl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7567867
[2-(4-ethylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7863033
[2-(4-methylanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555000
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 8581768
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611575

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate (CID 2611776) is [2-(4-ethylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate.
What is the SMILES notation for [2-(4-ethylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The canonical SMILES for [2-(4-ethylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate is CCc1ccc(NC(=O)COC(=O)c2ccc(C)cc2O)cc1.
What is the InChIKey of [2-(4-ethylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The InChIKey is NJMPZGNVIJXLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-3-13-5-7-14(8-6-13)19-17(21)11-23-18(22)15-9-4-12(2)10-16(15)20/h4-10,20H,3,11H2,1-2H3,(H,19,21).
What are the key properties of [2-(4-ethylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
[2-(4-ethylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate has a molecular weight of 313.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate is sourced from PubChem (CID 2611776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).