ethyl 2-(N-ethylanilino)acetate

C12H17NO2 — CID 14343476

IUPACethyl 2-(N-ethylanilino)acetate
SMILESCCOC(=O)CN(CC)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-13(10-12(14)15-4-2)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyUAUMAWKVDBQGJP-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.08
Rot. Bonds5

About ethyl 2-(N-ethylanilino)acetate

ethyl 2-(N-ethylanilino)acetate (PubChem CID 14343476) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is ethyl 2-(N-ethylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-ethylanilino)acetate
PubChem CID14343476
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameethyl 2-(N-ethylanilino)acetate
SMILESCCOC(=O)CN(CC)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-13(10-12(14)15-4-2)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyUAUMAWKVDBQGJP-UHFFFAOYSA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(N-ethylanilino)acetate 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-(N-ethylanilino)acetate?
The IUPAC name of ethyl 2-(N-ethylanilino)acetate (CID 14343476) is ethyl 2-(N-ethylanilino)acetate.
What is the SMILES notation for ethyl 2-(N-ethylanilino)acetate?
The canonical SMILES for ethyl 2-(N-ethylanilino)acetate is CCOC(=O)CN(CC)c1ccccc1.
What is the InChIKey of ethyl 2-(N-ethylanilino)acetate?
The InChIKey is UAUMAWKVDBQGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-13(10-12(14)15-4-2)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3.
What are the key properties of ethyl 2-(N-ethylanilino)acetate?
ethyl 2-(N-ethylanilino)acetate has a molecular weight of 207.27 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-ethylanilino)acetate is sourced from PubChem (CID 14343476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).