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

C18H17NO5 — CID 2611608

IUPAC[2-(2-acetylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C)cc1O
InChIInChI=1S/C18H17NO5/c1-11-7-8-14(16(21)9-11)18(23)24-10-17(22)19-15-6-4-3-5-13(15)12(2)20/h3-9,21H,10H2,1-2H3,(H,19,22)
InChIKeyFTSDLZKMNTVROM-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.70
Rot. Bonds5

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

[2-(2-acetylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate (PubChem CID 2611608) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name[2-(2-acetylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
PubChem CID2611608
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name[2-(2-acetylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C)cc1O
InChIInChI=1S/C18H17NO5/c1-11-7-8-14(16(21)9-11)18(23)24-10-17(22)19-15-6-4-3-5-13(15)12(2)20/h3-9,21H,10H2,1-2H3,(H,19,22)
InChIKeyFTSDLZKMNTVROM-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-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611829
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605484
[2-(2-acetylanilino)-2-oxoethyl] 3-hydroxy-4-methylbenzoate
CID 17419624
[2-(2-carbamoylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7890744
[2-(2-acetylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123172
[2-(2-acetylanilino)-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 2612100
[2-(4-bromoanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611638
[2-(4-ethylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611776
[2-(3-chloroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611767
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7567799
[2-(2-acetylanilino)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7221760
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542958

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate (CID 2611608) is [2-(2-acetylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate.
What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate is CC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C)cc1O.
What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The InChIKey is FTSDLZKMNTVROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-11-7-8-14(16(21)9-11)18(23)24-10-17(22)19-15-6-4-3-5-13(15)12(2)20/h3-9,21H,10H2,1-2H3,(H,19,22).
What are the key properties of [2-(2-acetylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
[2-(2-acetylanilino)-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-(2-acetylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate is sourced from PubChem (CID 2611608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).