ethyl 2-(4-methylanilino)propanoate

C12H17NO2 — CID 60521722

IUPACethyl 2-(4-methylanilino)propanoate
SMILESCCOC(=O)C(C)Nc1ccc(C)cc1
InChIInChI=1S/C12H17NO2/c1-4-15-12(14)10(3)13-11-7-5-9(2)6-8-11/h5-8,10,13H,4H2,1-3H3
InChIKeyHCJFOQZMXYHOSU-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.36
Rot. Bonds4

About ethyl 2-(4-methylanilino)propanoate

ethyl 2-(4-methylanilino)propanoate (PubChem CID 60521722) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is ethyl 2-(4-methylanilino)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-methylanilino)propanoate
PubChem CID60521722
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameethyl 2-(4-methylanilino)propanoate
SMILESCCOC(=O)C(C)Nc1ccc(C)cc1
InChIInChI=1S/C12H17NO2/c1-4-15-12(14)10(3)13-11-7-5-9(2)6-8-11/h5-8,10,13H,4H2,1-3H3
InChIKeyHCJFOQZMXYHOSU-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(4-methylanilino)propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylanilino)propanoate?
The IUPAC name of ethyl 2-(4-methylanilino)propanoate (CID 60521722) is ethyl 2-(4-methylanilino)propanoate.
What is the SMILES notation for ethyl 2-(4-methylanilino)propanoate?
The canonical SMILES for ethyl 2-(4-methylanilino)propanoate is CCOC(=O)C(C)Nc1ccc(C)cc1.
What is the InChIKey of ethyl 2-(4-methylanilino)propanoate?
The InChIKey is HCJFOQZMXYHOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-15-12(14)10(3)13-11-7-5-9(2)6-8-11/h5-8,10,13H,4H2,1-3H3.
What are the key properties of ethyl 2-(4-methylanilino)propanoate?
ethyl 2-(4-methylanilino)propanoate has a molecular weight of 207.27 g/mol, XLogP of 2.36, 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)propanoate is sourced from PubChem (CID 60521722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).