[2-(4-acetylanilino)-2-oxoethyl] acetate

C12H13NO4 — CID 717388

IUPAC[2-(4-acetylanilino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C12H13NO4/c1-8(14)10-3-5-11(6-4-10)13-12(16)7-17-9(2)15/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyRGCRVJRRKZPHIU-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.39
Rot. Bonds4

About [2-(4-acetylanilino)-2-oxoethyl] acetate

[2-(4-acetylanilino)-2-oxoethyl] acetate (PubChem CID 717388) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is [2-(4-acetylanilino)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(4-acetylanilino)-2-oxoethyl] acetate
PubChem CID717388
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name[2-(4-acetylanilino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C12H13NO4/c1-8(14)10-3-5-11(6-4-10)13-12(16)7-17-9(2)15/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyRGCRVJRRKZPHIU-UHFFFAOYSA-N
XLogP1.39
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] acetate?
The IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] acetate (CID 717388) is [2-(4-acetylanilino)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(4-acetylanilino)-2-oxoethyl] acetate?
The canonical SMILES for [2-(4-acetylanilino)-2-oxoethyl] acetate is CC(=O)OCC(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of [2-(4-acetylanilino)-2-oxoethyl] acetate?
The InChIKey is RGCRVJRRKZPHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-8(14)10-3-5-11(6-4-10)13-12(16)7-17-9(2)15/h3-6H,7H2,1-2H3,(H,13,16).
What are the key properties of [2-(4-acetylanilino)-2-oxoethyl] acetate?
[2-(4-acetylanilino)-2-oxoethyl] acetate has a molecular weight of 235.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylanilino)-2-oxoethyl] acetate is sourced from PubChem (CID 717388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).