[2-(4-acetamidophenyl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate

C18H17NO5 — CID 7567867

IUPAC[2-(4-acetamidophenyl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(C)cc2O)cc1
InChIInChI=1S/C18H17NO5/c1-11-3-8-15(16(21)9-11)18(23)24-10-17(22)13-4-6-14(7-5-13)19-12(2)20/h3-9,21H,10H2,1-2H3,(H,19,20)
InChIKeyTUXRLNDJSMUEAH-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.70
Rot. Bonds5

About [2-(4-acetamidophenyl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate

[2-(4-acetamidophenyl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate (PubChem CID 7567867) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is [2-(4-acetamidophenyl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name[2-(4-acetamidophenyl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
PubChem CID7567867
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name[2-(4-acetamidophenyl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(C)cc2O)cc1
InChIInChI=1S/C18H17NO5/c1-11-3-8-15(16(21)9-11)18(23)24-10-17(22)13-4-6-14(7-5-13)19-12(2)20/h3-9,21H,10H2,1-2H3,(H,19,20)
InChIKeyTUXRLNDJSMUEAH-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-ethylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611776
[2-(4-bromoanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611638
[2-(4-acetamidophenyl)-2-oxoethyl] 3,4-dimethylbenzoate
CID 8708822
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 17444915
ethyl 4-acetamido-2-hydroxybenzoate
CID 11665741
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 42976841
(2-amino-2-oxoethyl) 2-hydroxy-4-methylbenzoate
CID 2469983
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2,5-dimethylbenzoate
CID 40747705
[2-(4-nitroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7568558
[2-(4-benzamidophenyl)-2-oxoethyl] 2,5-dimethylbenzoate
CID 7628104
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7771214
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870764

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate (CID 7567867) is [2-(4-acetamidophenyl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate.
What is the SMILES notation for [2-(4-acetamidophenyl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The canonical SMILES for [2-(4-acetamidophenyl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate is CC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(C)cc2O)cc1.
What is the InChIKey of [2-(4-acetamidophenyl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The InChIKey is TUXRLNDJSMUEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-11-3-8-15(16(21)9-11)18(23)24-10-17(22)13-4-6-14(7-5-13)19-12(2)20/h3-9,21H,10H2,1-2H3,(H,19,20).
What are the key properties of [2-(4-acetamidophenyl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
[2-(4-acetamidophenyl)-2-oxoethyl] 2-hydroxy-4-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-acetamidophenyl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate is sourced from PubChem (CID 7567867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).