[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate

C19H19NO5 — CID 17444915

IUPAC[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
SMILESCC(=O)c1ccc(NC(=O)C(C)OC(=O)c2ccc(C)cc2O)cc1
InChIInChI=1S/C19H19NO5/c1-11-4-9-16(17(22)10-11)19(24)25-13(3)18(23)20-15-7-5-14(6-8-15)12(2)21/h4-10,13,22H,1-3H3,(H,20,23)
InChIKeyGYRLYIQVIIXMFR-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.09
Rot. Bonds5

About [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate

[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate (PubChem CID 17444915) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
PubChem CID17444915
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
SMILESCC(=O)c1ccc(NC(=O)C(C)OC(=O)c2ccc(C)cc2O)cc1
InChIInChI=1S/C19H19NO5/c1-11-4-9-16(17(22)10-11)19(24)25-13(3)18(23)20-15-7-5-14(6-8-15)12(2)21/h4-10,13,22H,1-3H3,(H,20,23)
InChIKeyGYRLYIQVIIXMFR-UHFFFAOYSA-N
XLogP3.09
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 7567606
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 7568149
[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 7567895
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 7567381
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate
CID 7373079
[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 8549791
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 3-methylbenzoate
CID 2562778
[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 8549258
[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-hydroxy-4-methylbenzoate
CID 8549941
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 7508224
[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 8549996
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-chloro-2-fluorobenzoate
CID 8629680

Frequently Asked Questions

What is the IUPAC name of [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate?
The IUPAC name of [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate (CID 17444915) is [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate.
What is the SMILES notation for [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate?
The canonical SMILES for [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate is CC(=O)c1ccc(NC(=O)C(C)OC(=O)c2ccc(C)cc2O)cc1.
What is the InChIKey of [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate?
The InChIKey is GYRLYIQVIIXMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-11-4-9-16(17(22)10-11)19(24)25-13(3)18(23)20-15-7-5-14(6-8-15)12(2)21/h4-10,13,22H,1-3H3,(H,20,23).
What are the key properties of [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate?
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate has a molecular weight of 341.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-acetylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate is sourced from PubChem (CID 17444915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).