ethyl 3-benzamidopropanoate

C12H15NO3 — CID 2827265

IUPACethyl 3-benzamidopropanoate
SMILESCCOC(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-2-16-11(14)8-9-13-12(15)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15)
InChIKeyOEKIULQFBZZRGS-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.37
Rot. Bonds5

About ethyl 3-benzamidopropanoate

ethyl 3-benzamidopropanoate (PubChem CID 2827265) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl 3-benzamidopropanoate.

Molecular Properties

Compound Nameethyl 3-benzamidopropanoate
PubChem CID2827265
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameethyl 3-benzamidopropanoate
SMILESCCOC(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-2-16-11(14)8-9-13-12(15)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15)
InChIKeyOEKIULQFBZZRGS-UHFFFAOYSA-N
XLogP1.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-benzamidopropanoate 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 3-benzamidopropanoate?
The IUPAC name of ethyl 3-benzamidopropanoate (CID 2827265) is ethyl 3-benzamidopropanoate.
What is the SMILES notation for ethyl 3-benzamidopropanoate?
The canonical SMILES for ethyl 3-benzamidopropanoate is CCOC(=O)CCNC(=O)c1ccccc1.
What is the InChIKey of ethyl 3-benzamidopropanoate?
The InChIKey is OEKIULQFBZZRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-16-11(14)8-9-13-12(15)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15).
What are the key properties of ethyl 3-benzamidopropanoate?
ethyl 3-benzamidopropanoate has a molecular weight of 221.26 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzamidopropanoate is sourced from PubChem (CID 2827265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).