methyl 3-(2-acetamidophenoxy)-2-methylpropanoate

C13H17NO4 — CID 43537861

IUPACmethyl 3-(2-acetamidophenoxy)-2-methylpropanoate
SMILESCOC(=O)C(C)COc1ccccc1NC(C)=O
InChIInChI=1S/C13H17NO4/c1-9(13(16)17-3)8-18-12-7-5-4-6-11(12)14-10(2)15/h4-7,9H,8H2,1-3H3,(H,14,15)
InChIKeySQRHMIFOZSKZJF-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.83
Rot. Bonds5

About methyl 3-(2-acetamidophenoxy)-2-methylpropanoate

methyl 3-(2-acetamidophenoxy)-2-methylpropanoate (PubChem CID 43537861) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl 3-(2-acetamidophenoxy)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-acetamidophenoxy)-2-methylpropanoate
PubChem CID43537861
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namemethyl 3-(2-acetamidophenoxy)-2-methylpropanoate
SMILESCOC(=O)C(C)COc1ccccc1NC(C)=O
InChIInChI=1S/C13H17NO4/c1-9(13(16)17-3)8-18-12-7-5-4-6-11(12)14-10(2)15/h4-7,9H,8H2,1-3H3,(H,14,15)
InChIKeySQRHMIFOZSKZJF-UHFFFAOYSA-N
XLogP1.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(2-acetamidophenoxy)-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-methyl-3-(2-methylphenoxy)propanoate
CID 43537668
methyl 2-(2-acetamidophenoxy)propanoate
CID 54941686
N-[2-[4-(2-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150
methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate
CID 65442964
N-[2-[10-(2-acetamidophenoxy)decoxy]phenyl]acetamide
CID 4569719
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
potassium (2-acetamidophenoxy)methyl-trifluoroboranuide
CID 55232982
methyl 3-(2-methoxyanilino)-2-methylpropanoate
CID 43538383
N-[2-(4-oxopentan-2-yloxy)phenyl]acetamide
CID 64698163
N-[2-[2-(2-methylphenoxy)ethoxy]phenyl]acetamide
CID 9017902
N,N'-bis[2-(2-methylpropoxy)phenyl]hexanediamide
CID 17074524
dimethyl 5-[[2-(2-acetamidophenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 7867251

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-acetamidophenoxy)-2-methylpropanoate?
The IUPAC name of methyl 3-(2-acetamidophenoxy)-2-methylpropanoate (CID 43537861) is methyl 3-(2-acetamidophenoxy)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(2-acetamidophenoxy)-2-methylpropanoate?
The canonical SMILES for methyl 3-(2-acetamidophenoxy)-2-methylpropanoate is COC(=O)C(C)COc1ccccc1NC(C)=O.
What is the InChIKey of methyl 3-(2-acetamidophenoxy)-2-methylpropanoate?
The InChIKey is SQRHMIFOZSKZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9(13(16)17-3)8-18-12-7-5-4-6-11(12)14-10(2)15/h4-7,9H,8H2,1-3H3,(H,14,15).
What are the key properties of methyl 3-(2-acetamidophenoxy)-2-methylpropanoate?
methyl 3-(2-acetamidophenoxy)-2-methylpropanoate has a molecular weight of 251.28 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-acetamidophenoxy)-2-methylpropanoate is sourced from PubChem (CID 43537861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).