[2-(4-acetylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate

C18H17NO5 — CID 2578372

IUPAC[2-(4-acetylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)c2cccc(C)c2O)cc1
InChIInChI=1S/C18H17NO5/c1-11-4-3-5-15(17(11)22)18(23)24-10-16(21)19-14-8-6-13(7-9-14)12(2)20/h3-9,22H,10H2,1-2H3,(H,19,21)
InChIKeyJSMQZZRHLJUKKB-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.70
Rot. Bonds5

About [2-(4-acetylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate

[2-(4-acetylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate (PubChem CID 2578372) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is [2-(4-acetylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name[2-(4-acetylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
PubChem CID2578372
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name[2-(4-acetylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)c2cccc(C)c2O)cc1
InChIInChI=1S/C18H17NO5/c1-11-4-3-5-15(17(11)22)18(23)24-10-16(21)19-14-8-6-13(7-9-14)12(2)20/h3-9,22H,10H2,1-2H3,(H,19,21)
InChIKeyJSMQZZRHLJUKKB-UHFFFAOYSA-N
XLogP2.70
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578244
[2-(4-acetylanilino)-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 2612335
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578358
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 16530409
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578282
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7416041
[2-(4-acetylanilino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648305
[2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578232
[2-(2-ethylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840630
[2-(4-acetylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7603228
(2-benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate
CID 7416144
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578343

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate (CID 2578372) is [2-(4-acetylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for [2-(4-acetylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The canonical SMILES for [2-(4-acetylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate is CC(=O)c1ccc(NC(=O)COC(=O)c2cccc(C)c2O)cc1.
What is the InChIKey of [2-(4-acetylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The InChIKey is JSMQZZRHLJUKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-11-4-3-5-15(17(11)22)18(23)24-10-16(21)19-14-8-6-13(7-9-14)12(2)20/h3-9,22H,10H2,1-2H3,(H,19,21).
What are the key properties of [2-(4-acetylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
[2-(4-acetylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate has a molecular weight of 327.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 2578372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).