ethyl 2-(4-methylanilino)acetate

C11H15NO2 — CID 13263396

IUPACethyl 2-(4-methylanilino)acetate
SMILESCCOC(=O)CNc1ccc(C)cc1
InChIInChI=1S/C11H15NO2/c1-3-14-11(13)8-12-10-6-4-9(2)5-7-10/h4-7,12H,3,8H2,1-2H3
InChIKeyRFCHXXFHULMCDW-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.97
Rot. Bonds4

About ethyl 2-(4-methylanilino)acetate

ethyl 2-(4-methylanilino)acetate (PubChem CID 13263396) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is ethyl 2-(4-methylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methylanilino)acetate
PubChem CID13263396
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nameethyl 2-(4-methylanilino)acetate
SMILESCCOC(=O)CNc1ccc(C)cc1
InChIInChI=1S/C11H15NO2/c1-3-14-11(13)8-12-10-6-4-9(2)5-7-10/h4-7,12H,3,8H2,1-2H3
InChIKeyRFCHXXFHULMCDW-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylanilino)acetate?
The IUPAC name of ethyl 2-(4-methylanilino)acetate (CID 13263396) is ethyl 2-(4-methylanilino)acetate.
What is the SMILES notation for ethyl 2-(4-methylanilino)acetate?
The canonical SMILES for ethyl 2-(4-methylanilino)acetate is CCOC(=O)CNc1ccc(C)cc1.
What is the InChIKey of ethyl 2-(4-methylanilino)acetate?
The InChIKey is RFCHXXFHULMCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-14-11(13)8-12-10-6-4-9(2)5-7-10/h4-7,12H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(4-methylanilino)acetate?
ethyl 2-(4-methylanilino)acetate has a molecular weight of 193.25 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylanilino)acetate is sourced from PubChem (CID 13263396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).