ethyl 2-[benzyl(ethyl)amino]acetate

C13H19NO2 — CID 28879176

IUPACethyl 2-[benzyl(ethyl)amino]acetate
SMILESCCOC(=O)CN(CC)Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-14(11-13(15)16-4-2)10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyIKKYKXBJOFOTGT-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.07
Rot. Bonds6

About ethyl 2-[benzyl(ethyl)amino]acetate

ethyl 2-[benzyl(ethyl)amino]acetate (PubChem CID 28879176) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is ethyl 2-[benzyl(ethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl(ethyl)amino]acetate
PubChem CID28879176
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nameethyl 2-[benzyl(ethyl)amino]acetate
SMILESCCOC(=O)CN(CC)Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-14(11-13(15)16-4-2)10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyIKKYKXBJOFOTGT-UHFFFAOYSA-N
XLogP2.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[benzyl(ethyl)amino]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-[benzyl(ethyl)amino]acetate?
The IUPAC name of ethyl 2-[benzyl(ethyl)amino]acetate (CID 28879176) is ethyl 2-[benzyl(ethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl(ethyl)amino]acetate?
The canonical SMILES for ethyl 2-[benzyl(ethyl)amino]acetate is CCOC(=O)CN(CC)Cc1ccccc1.
What is the InChIKey of ethyl 2-[benzyl(ethyl)amino]acetate?
The InChIKey is IKKYKXBJOFOTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-14(11-13(15)16-4-2)10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of ethyl 2-[benzyl(ethyl)amino]acetate?
ethyl 2-[benzyl(ethyl)amino]acetate has a molecular weight of 221.30 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl(ethyl)amino]acetate is sourced from PubChem (CID 28879176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).