methyl 2-(2-acetamidophenoxy)propanoate

C12H15NO4 — CID 54941686

IUPACmethyl 2-(2-acetamidophenoxy)propanoate
SMILESCOC(=O)C(C)Oc1ccccc1NC(C)=O
InChIInChI=1S/C12H15NO4/c1-8(12(15)16-3)17-11-7-5-4-6-10(11)13-9(2)14/h4-8H,1-3H3,(H,13,14)
InChIKeyPLHHGMJAOOZVEP-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.59
Rot. Bonds4

About methyl 2-(2-acetamidophenoxy)propanoate

methyl 2-(2-acetamidophenoxy)propanoate (PubChem CID 54941686) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is methyl 2-(2-acetamidophenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-acetamidophenoxy)propanoate
PubChem CID54941686
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namemethyl 2-(2-acetamidophenoxy)propanoate
SMILESCOC(=O)C(C)Oc1ccccc1NC(C)=O
InChIInChI=1S/C12H15NO4/c1-8(12(15)16-3)17-11-7-5-4-6-10(11)13-9(2)14/h4-8H,1-3H3,(H,13,14)
InChIKeyPLHHGMJAOOZVEP-UHFFFAOYSA-N
XLogP1.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-oxopentan-2-yloxy)phenyl]acetamide
CID 64698163
methyl 3-(2-acetamidophenoxy)-2-methylpropanoate
CID 43537861
N-[2-[1-(3-aminophenyl)ethoxy]phenyl]acetamide
CID 61261456
methyl 2-(2-ethylphenoxy)propanoate
CID 60643103
methyl (2R)-2-(2-ethylphenoxy)propanoate
CID 103337851
methyl 2-[2-[(1R)-1-aminoethyl]phenoxy]propanoate
CID 63367072
methyl 2-(2-ethoxyphenoxy)propanoate
CID 60643182
methyl (2S)-2-[2-(hydroxymethyl)phenoxy]propanoate
CID 103338014
methyl 2-(2-acetamidophenyl)propanoate
CID 15064955
(2-acetamidophenyl) hypochlorite
CID 150463309
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
(2R)-2-(2-acetamidophenoxy)-N-cyclohexylpropanamide
CID 9111099

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-acetamidophenoxy)propanoate?
The IUPAC name of methyl 2-(2-acetamidophenoxy)propanoate (CID 54941686) is methyl 2-(2-acetamidophenoxy)propanoate.
What is the SMILES notation for methyl 2-(2-acetamidophenoxy)propanoate?
The canonical SMILES for methyl 2-(2-acetamidophenoxy)propanoate is COC(=O)C(C)Oc1ccccc1NC(C)=O.
What is the InChIKey of methyl 2-(2-acetamidophenoxy)propanoate?
The InChIKey is PLHHGMJAOOZVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(12(15)16-3)17-11-7-5-4-6-10(11)13-9(2)14/h4-8H,1-3H3,(H,13,14).
What are the key properties of methyl 2-(2-acetamidophenoxy)propanoate?
methyl 2-(2-acetamidophenoxy)propanoate has a molecular weight of 237.25 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-acetamidophenoxy)propanoate is sourced from PubChem (CID 54941686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).