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

C14H16N2O5 — CID 2418751

IUPAC[2-(4-acetylanilino)-2-oxoethyl] 2-acetamidoacetate
SMILESCC(=O)NCC(=O)OCC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C14H16N2O5/c1-9(17)11-3-5-12(6-4-11)16-13(19)8-21-14(20)7-15-10(2)18/h3-6H,7-8H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyWLWAKHVTQODTJV-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.51
Rot. Bonds6

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

[2-(4-acetylanilino)-2-oxoethyl] 2-acetamidoacetate (PubChem CID 2418751) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is [2-(4-acetylanilino)-2-oxoethyl] 2-acetamidoacetate.

Molecular Properties

Compound Name[2-(4-acetylanilino)-2-oxoethyl] 2-acetamidoacetate
PubChem CID2418751
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name[2-(4-acetylanilino)-2-oxoethyl] 2-acetamidoacetate
SMILESCC(=O)NCC(=O)OCC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C14H16N2O5/c1-9(17)11-3-5-12(6-4-11)16-13(19)8-21-14(20)7-15-10(2)18/h3-6H,7-8H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyWLWAKHVTQODTJV-UHFFFAOYSA-N
XLogP0.51
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 2-acetamidoacetate?
The IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 2-acetamidoacetate (CID 2418751) is [2-(4-acetylanilino)-2-oxoethyl] 2-acetamidoacetate.
What is the SMILES notation for [2-(4-acetylanilino)-2-oxoethyl] 2-acetamidoacetate?
The canonical SMILES for [2-(4-acetylanilino)-2-oxoethyl] 2-acetamidoacetate is CC(=O)NCC(=O)OCC(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of [2-(4-acetylanilino)-2-oxoethyl] 2-acetamidoacetate?
The InChIKey is WLWAKHVTQODTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-9(17)11-3-5-12(6-4-11)16-13(19)8-21-14(20)7-15-10(2)18/h3-6H,7-8H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of [2-(4-acetylanilino)-2-oxoethyl] 2-acetamidoacetate?
[2-(4-acetylanilino)-2-oxoethyl] 2-acetamidoacetate has a molecular weight of 292.29 g/mol, XLogP of 0.51, 6 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-acetamidoacetate is sourced from PubChem (CID 2418751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).