ethyl 3-(4-methylanilino)propanoate

C12H17NO2 — CID 23052674

IUPACethyl 3-(4-methylanilino)propanoate
SMILESCCOC(=O)CCNc1ccc(C)cc1
InChIInChI=1S/C12H17NO2/c1-3-15-12(14)8-9-13-11-6-4-10(2)5-7-11/h4-7,13H,3,8-9H2,1-2H3
InChIKeyBGPSPHIGDXIGRM-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.36
Rot. Bonds5

About ethyl 3-(4-methylanilino)propanoate

ethyl 3-(4-methylanilino)propanoate (PubChem CID 23052674) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is ethyl 3-(4-methylanilino)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-methylanilino)propanoate
PubChem CID23052674
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameethyl 3-(4-methylanilino)propanoate
SMILESCCOC(=O)CCNc1ccc(C)cc1
InChIInChI=1S/C12H17NO2/c1-3-15-12(14)8-9-13-11-6-4-10(2)5-7-11/h4-7,13H,3,8-9H2,1-2H3
InChIKeyBGPSPHIGDXIGRM-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 3-(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

Related Compounds

ethyl 3-anilinopropanoate
CID 10910393
aniline;ethyl 3-anilinopropanoate
CID 158808649
ethyl 3-(3,4-dibromoanilino)propanoate
CID 23052858
(3-methoxy-3-methylbutyl) 3-(4-methylanilino)propanoate
CID 106666213
thiophen-2-ylmethyl 3-(4-methylanilino)propanoate
CID 60717468
ethyl 4-(4-carbamoylanilino)butanoate
CID 60679098
3-(3,5-dimethylanilino)propanamide;ethyl 3-(3,5-dimethylanilino)propanoate;methane
CID 160767961
4-hydroxybutyl 4-[(3-ethoxy-3-oxopropyl)amino]benzoate
CID 21163287
ethyl 3-[[6-(dimethylamino)-3-pyridinyl]amino]propanoate
CID 82316783
ethyl 3-(3-carbamoylanilino)propanoate
CID 114003548
ethyl 3-(3-ethylanilino)propanoate
CID 43365421
ethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride
CID 172819614

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methylanilino)propanoate?
The IUPAC name of ethyl 3-(4-methylanilino)propanoate (CID 23052674) is ethyl 3-(4-methylanilino)propanoate.
What is the SMILES notation for ethyl 3-(4-methylanilino)propanoate?
The canonical SMILES for ethyl 3-(4-methylanilino)propanoate is CCOC(=O)CCNc1ccc(C)cc1.
What is the InChIKey of ethyl 3-(4-methylanilino)propanoate?
The InChIKey is BGPSPHIGDXIGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-15-12(14)8-9-13-11-6-4-10(2)5-7-11/h4-7,13H,3,8-9H2,1-2H3.
What are the key properties of ethyl 3-(4-methylanilino)propanoate?
ethyl 3-(4-methylanilino)propanoate has a molecular weight of 207.27 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methylanilino)propanoate is sourced from PubChem (CID 23052674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).