[1-(2-acetylanilino)-1-oxopropan-2-yl] 3-hydroxy-4-methylbenzoate

C19H19NO5 — CID 17417404

IUPAC[1-(2-acetylanilino)-1-oxopropan-2-yl] 3-hydroxy-4-methylbenzoate
SMILESCC(=O)c1ccccc1NC(=O)C(C)OC(=O)c1ccc(C)c(O)c1
InChIInChI=1S/C19H19NO5/c1-11-8-9-14(10-17(11)22)19(24)25-13(3)18(23)20-16-7-5-4-6-15(16)12(2)21/h4-10,13,22H,1-3H3,(H,20,23)
InChIKeyRXXQTBBQUQXKTF-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.09
Rot. Bonds5

About [1-(2-acetylanilino)-1-oxopropan-2-yl] 3-hydroxy-4-methylbenzoate

[1-(2-acetylanilino)-1-oxopropan-2-yl] 3-hydroxy-4-methylbenzoate (PubChem CID 17417404) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is [1-(2-acetylanilino)-1-oxopropan-2-yl] 3-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name[1-(2-acetylanilino)-1-oxopropan-2-yl] 3-hydroxy-4-methylbenzoate
PubChem CID17417404
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name[1-(2-acetylanilino)-1-oxopropan-2-yl] 3-hydroxy-4-methylbenzoate
SMILESCC(=O)c1ccccc1NC(=O)C(C)OC(=O)c1ccc(C)c(O)c1
InChIInChI=1S/C19H19NO5/c1-11-8-9-14(10-17(11)22)19(24)25-13(3)18(23)20-16-7-5-4-6-15(16)12(2)21/h4-10,13,22H,1-3H3,(H,20,23)
InChIKeyRXXQTBBQUQXKTF-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-(2-acetylanilino)-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate
CID 41323939
[2-(2-acetylanilino)-2-oxoethyl] 3-hydroxy-4-methylbenzoate
CID 17419624
[1-(2-acetylanilino)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 46619801
[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 3-hydroxy-4-methylbenzoate
CID 46660481
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 3-hydroxy-4-methylbenzoate
CID 55541783
[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-hydroxy-4-methylbenzoate
CID 40812049
[(2S)-1-(2-methylanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 41291596
[1-(2-acetylanilino)-1-oxopropan-2-yl] 3-(methanesulfonamido)benzoate
CID 16567085
[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619692
[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-methylsulfanylbenzoate
CID 8735820
[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 8996942
[(2S)-1-(2-chloro-4,6-dimethylanilino)-1-oxopropan-2-yl] 3-hydroxy-4-methylbenzoate
CID 35676111

Frequently Asked Questions

What is the IUPAC name of [1-(2-acetylanilino)-1-oxopropan-2-yl] 3-hydroxy-4-methylbenzoate?
The IUPAC name of [1-(2-acetylanilino)-1-oxopropan-2-yl] 3-hydroxy-4-methylbenzoate (CID 17417404) is [1-(2-acetylanilino)-1-oxopropan-2-yl] 3-hydroxy-4-methylbenzoate.
What is the SMILES notation for [1-(2-acetylanilino)-1-oxopropan-2-yl] 3-hydroxy-4-methylbenzoate?
The canonical SMILES for [1-(2-acetylanilino)-1-oxopropan-2-yl] 3-hydroxy-4-methylbenzoate is CC(=O)c1ccccc1NC(=O)C(C)OC(=O)c1ccc(C)c(O)c1.
What is the InChIKey of [1-(2-acetylanilino)-1-oxopropan-2-yl] 3-hydroxy-4-methylbenzoate?
The InChIKey is RXXQTBBQUQXKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-11-8-9-14(10-17(11)22)19(24)25-13(3)18(23)20-16-7-5-4-6-15(16)12(2)21/h4-10,13,22H,1-3H3,(H,20,23).
What are the key properties of [1-(2-acetylanilino)-1-oxopropan-2-yl] 3-hydroxy-4-methylbenzoate?
[1-(2-acetylanilino)-1-oxopropan-2-yl] 3-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-(2-acetylanilino)-1-oxopropan-2-yl] 3-hydroxy-4-methylbenzoate is sourced from PubChem (CID 17417404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).