[2-(2-ethylanilino)-2-oxoethyl] 3-hydroxybenzoate

C17H17NO4 — CID 7483736

IUPAC[2-(2-ethylanilino)-2-oxoethyl] 3-hydroxybenzoate
SMILESCCc1ccccc1NC(=O)COC(=O)c1cccc(O)c1
InChIInChI=1S/C17H17NO4/c1-2-12-6-3-4-9-15(12)18-16(20)11-22-17(21)13-7-5-8-14(19)10-13/h3-10,19H,2,11H2,1H3,(H,18,20)
InChIKeyMWUPJYIZRQWOTH-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.75
Rot. Bonds5

About [2-(2-ethylanilino)-2-oxoethyl] 3-hydroxybenzoate

[2-(2-ethylanilino)-2-oxoethyl] 3-hydroxybenzoate (PubChem CID 7483736) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is [2-(2-ethylanilino)-2-oxoethyl] 3-hydroxybenzoate.

Molecular Properties

Compound Name[2-(2-ethylanilino)-2-oxoethyl] 3-hydroxybenzoate
PubChem CID7483736
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name[2-(2-ethylanilino)-2-oxoethyl] 3-hydroxybenzoate
SMILESCCc1ccccc1NC(=O)COC(=O)c1cccc(O)c1
InChIInChI=1S/C17H17NO4/c1-2-12-6-3-4-9-15(12)18-16(20)11-22-17(21)13-7-5-8-14(19)10-13/h3-10,19H,2,11H2,1H3,(H,18,20)
InChIKeyMWUPJYIZRQWOTH-UHFFFAOYSA-N
XLogP2.75
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628242
methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate
CID 2431988
[2-(2-chloroanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628238
[2-(2-ethylanilino)-2-oxoethyl] 3-cyanobenzoate
CID 7454911
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628830
[2-(2-ethylanilino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010557
[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558698
[2-(2-ethylanilino)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 7981318
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628190
[2-(2-ethylanilino)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7186437
[2-(2-ethylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840630
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628769

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 3-hydroxybenzoate?
The IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 3-hydroxybenzoate (CID 7483736) is [2-(2-ethylanilino)-2-oxoethyl] 3-hydroxybenzoate.
What is the SMILES notation for [2-(2-ethylanilino)-2-oxoethyl] 3-hydroxybenzoate?
The canonical SMILES for [2-(2-ethylanilino)-2-oxoethyl] 3-hydroxybenzoate is CCc1ccccc1NC(=O)COC(=O)c1cccc(O)c1.
What is the InChIKey of [2-(2-ethylanilino)-2-oxoethyl] 3-hydroxybenzoate?
The InChIKey is MWUPJYIZRQWOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-2-12-6-3-4-9-15(12)18-16(20)11-22-17(21)13-7-5-8-14(19)10-13/h3-10,19H,2,11H2,1H3,(H,18,20).
What are the key properties of [2-(2-ethylanilino)-2-oxoethyl] 3-hydroxybenzoate?
[2-(2-ethylanilino)-2-oxoethyl] 3-hydroxybenzoate has a molecular weight of 299.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylanilino)-2-oxoethyl] 3-hydroxybenzoate is sourced from PubChem (CID 7483736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).