(4-acetamidophenyl) acetate

C10H11NO3 — CID 17499

IUPAC(4-acetamidophenyl) acetate
SMILESCC(=O)Nc1ccc(OC(C)=O)cc1
InChIInChI=1S/C10H11NO3/c1-7(12)11-9-3-5-10(6-4-9)14-8(2)13/h3-6H,1-2H3,(H,11,12)
InChIKeyUJAOSPFULOFZRR-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.57
Rot. Bonds2

About (4-acetamidophenyl) acetate

(4-acetamidophenyl) acetate (PubChem CID 17499) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (4-acetamidophenyl) acetate.

Molecular Properties

Compound Name(4-acetamidophenyl) acetate
PubChem CID17499
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(4-acetamidophenyl) acetate
SMILESCC(=O)Nc1ccc(OC(C)=O)cc1
InChIInChI=1S/C10H11NO3/c1-7(12)11-9-3-5-10(6-4-9)14-8(2)13/h3-6H,1-2H3,(H,11,12)
InChIKeyUJAOSPFULOFZRR-UHFFFAOYSA-N
XLogP1.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) acetate?
The IUPAC name of (4-acetamidophenyl) acetate (CID 17499) is (4-acetamidophenyl) acetate.
What is the SMILES notation for (4-acetamidophenyl) acetate?
The canonical SMILES for (4-acetamidophenyl) acetate is CC(=O)Nc1ccc(OC(C)=O)cc1.
What is the InChIKey of (4-acetamidophenyl) acetate?
The InChIKey is UJAOSPFULOFZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7(12)11-9-3-5-10(6-4-9)14-8(2)13/h3-6H,1-2H3,(H,11,12).
What are the key properties of (4-acetamidophenyl) acetate?
(4-acetamidophenyl) acetate has a molecular weight of 193.20 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) acetate is sourced from PubChem (CID 17499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).