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

C17H17NO4 — CID 2578244

IUPAC[2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1ccc(NC(=O)COC(=O)c2cccc(C)c2O)cc1
InChIInChI=1S/C17H17NO4/c1-11-6-8-13(9-7-11)18-15(19)10-22-17(21)14-5-3-4-12(2)16(14)20/h3-9,20H,10H2,1-2H3,(H,18,19)
InChIKeySDBKQOPIIXWHOS-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.80
Rot. Bonds4

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

[2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate (PubChem CID 2578244) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
PubChem CID2578244
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name[2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1ccc(NC(=O)COC(=O)c2cccc(C)c2O)cc1
InChIInChI=1S/C17H17NO4/c1-11-6-8-13(9-7-11)18-15(19)10-22-17(21)14-5-3-4-12(2)16(14)20/h3-9,20H,10H2,1-2H3,(H,18,19)
InChIKeySDBKQOPIIXWHOS-UHFFFAOYSA-N
XLogP2.80
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-acetylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578372
[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-(4-methylanilino)-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 2612202
[2-(4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542886
[2-(2-ethylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840630
[2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578232
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578343
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2652348
[2-(4-tert-butylanilino)-2-oxoethyl] 2-methylbenzoate
CID 7718013
(4-methylphenyl)methyl 2-hydroxy-3-methylbenzoate
CID 7840399

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate (CID 2578244) is [2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The canonical SMILES for [2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate is Cc1ccc(NC(=O)COC(=O)c2cccc(C)c2O)cc1.
What is the InChIKey of [2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The InChIKey is SDBKQOPIIXWHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-11-6-8-13(9-7-11)18-15(19)10-22-17(21)14-5-3-4-12(2)16(14)20/h3-9,20H,10H2,1-2H3,(H,18,19).
What are the key properties of [2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
[2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate has a molecular weight of 299.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 2578244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).