(2-acetamido-4-methylphenyl) acetate

C11H13NO3 — CID 734306

IUPAC(2-acetamido-4-methylphenyl) acetate
SMILESCC(=O)Nc1cc(C)ccc1OC(C)=O
InChIInChI=1S/C11H13NO3/c1-7-4-5-11(15-9(3)14)10(6-7)12-8(2)13/h4-6H,1-3H3,(H,12,13)
InChIKeyGPJFMEZBKSINFK-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.88
Rot. Bonds2

About (2-acetamido-4-methylphenyl) acetate

(2-acetamido-4-methylphenyl) acetate (PubChem CID 734306) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2-acetamido-4-methylphenyl) acetate.

Molecular Properties

Compound Name(2-acetamido-4-methylphenyl) acetate
PubChem CID734306
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(2-acetamido-4-methylphenyl) acetate
SMILESCC(=O)Nc1cc(C)ccc1OC(C)=O
InChIInChI=1S/C11H13NO3/c1-7-4-5-11(15-9(3)14)10(6-7)12-8(2)13/h4-6H,1-3H3,(H,12,13)
InChIKeyGPJFMEZBKSINFK-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.88
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 (2-acetamido-4-methylphenyl) acetate?
The IUPAC name of (2-acetamido-4-methylphenyl) acetate (CID 734306) is (2-acetamido-4-methylphenyl) acetate.
What is the SMILES notation for (2-acetamido-4-methylphenyl) acetate?
The canonical SMILES for (2-acetamido-4-methylphenyl) acetate is CC(=O)Nc1cc(C)ccc1OC(C)=O.
What is the InChIKey of (2-acetamido-4-methylphenyl) acetate?
The InChIKey is GPJFMEZBKSINFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7-4-5-11(15-9(3)14)10(6-7)12-8(2)13/h4-6H,1-3H3,(H,12,13).
What are the key properties of (2-acetamido-4-methylphenyl) acetate?
(2-acetamido-4-methylphenyl) acetate has a molecular weight of 207.23 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-4-methylphenyl) acetate is sourced from PubChem (CID 734306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).