methyl 2-(4-acetamidophenoxy)acetate

C11H13NO4 — CID 10955184

IUPACmethyl 2-(4-acetamidophenoxy)acetate
SMILESCOC(=O)COc1ccc(NC(C)=O)cc1
InChIInChI=1S/C11H13NO4/c1-8(13)12-9-3-5-10(6-4-9)16-7-11(14)15-2/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyDPOLBUJUVCUNQM-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.20
Rot. Bonds4

About methyl 2-(4-acetamidophenoxy)acetate

methyl 2-(4-acetamidophenoxy)acetate (PubChem CID 10955184) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 2-(4-acetamidophenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(4-acetamidophenoxy)acetate
PubChem CID10955184
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namemethyl 2-(4-acetamidophenoxy)acetate
SMILESCOC(=O)COc1ccc(NC(C)=O)cc1
InChIInChI=1S/C11H13NO4/c1-8(13)12-9-3-5-10(6-4-9)16-7-11(14)15-2/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyDPOLBUJUVCUNQM-UHFFFAOYSA-N
XLogP1.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-acetamidophenoxy)acetate?
The IUPAC name of methyl 2-(4-acetamidophenoxy)acetate (CID 10955184) is methyl 2-(4-acetamidophenoxy)acetate.
What is the SMILES notation for methyl 2-(4-acetamidophenoxy)acetate?
The canonical SMILES for methyl 2-(4-acetamidophenoxy)acetate is COC(=O)COc1ccc(NC(C)=O)cc1.
What is the InChIKey of methyl 2-(4-acetamidophenoxy)acetate?
The InChIKey is DPOLBUJUVCUNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-8(13)12-9-3-5-10(6-4-9)16-7-11(14)15-2/h3-6H,7H2,1-2H3,(H,12,13).
What are the key properties of methyl 2-(4-acetamidophenoxy)acetate?
methyl 2-(4-acetamidophenoxy)acetate has a molecular weight of 223.23 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-acetamidophenoxy)acetate is sourced from PubChem (CID 10955184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).