methyl 2-(2-acetamidophenyl)propanoate

C12H15NO3 — CID 15064955

IUPACmethyl 2-(2-acetamidophenyl)propanoate
SMILESCOC(=O)C(C)c1ccccc1NC(C)=O
InChIInChI=1S/C12H15NO3/c1-8(12(15)16-3)10-6-4-5-7-11(10)13-9(2)14/h4-8H,1-3H3,(H,13,14)
InChIKeyZPUURHZDERMEES-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.92
Rot. Bonds3

About methyl 2-(2-acetamidophenyl)propanoate

methyl 2-(2-acetamidophenyl)propanoate (PubChem CID 15064955) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 2-(2-acetamidophenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-acetamidophenyl)propanoate
PubChem CID15064955
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl 2-(2-acetamidophenyl)propanoate
SMILESCOC(=O)C(C)c1ccccc1NC(C)=O
InChIInChI=1S/C12H15NO3/c1-8(12(15)16-3)10-6-4-5-7-11(10)13-9(2)14/h4-8H,1-3H3,(H,13,14)
InChIKeyZPUURHZDERMEES-UHFFFAOYSA-N
XLogP1.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-methoxyethyl)phenyl]acetamide
CID 56609404
methoxyethane;N-(2-propan-2-ylphenyl)acetamide
CID 161222349
methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082
methyl 2-(2-acetamidophenoxy)propanoate
CID 54941686
2-(2-acetamidophenyl)-2-aminoacetic acid
CID 21317152
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
methyl (2R)-2-[2-(diacetyloxy-λ3-iodanyl)phenyl]propanoate
CID 101445210
ethyl 2-[2-[(2-aminoacetyl)amino]phenyl]propanoate
CID 54217983
methyl 2-(2-hydroxy-3-propan-2-ylphenyl)propanoate
CID 163214418
methyl 3-(2-acetamidophenoxy)-2-methylpropanoate
CID 43537861
methyl (2S)-2-(2-nitrophenyl)propanoate
CID 129390195

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-acetamidophenyl)propanoate?
The IUPAC name of methyl 2-(2-acetamidophenyl)propanoate (CID 15064955) is methyl 2-(2-acetamidophenyl)propanoate.
What is the SMILES notation for methyl 2-(2-acetamidophenyl)propanoate?
The canonical SMILES for methyl 2-(2-acetamidophenyl)propanoate is COC(=O)C(C)c1ccccc1NC(C)=O.
What is the InChIKey of methyl 2-(2-acetamidophenyl)propanoate?
The InChIKey is ZPUURHZDERMEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(12(15)16-3)10-6-4-5-7-11(10)13-9(2)14/h4-8H,1-3H3,(H,13,14).
What are the key properties of methyl 2-(2-acetamidophenyl)propanoate?
methyl 2-(2-acetamidophenyl)propanoate has a molecular weight of 221.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-acetamidophenyl)propanoate is sourced from PubChem (CID 15064955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).