ethyl 3-[(2-ethoxy-2-oxo-1-phenylethyl)amino]propanoate

C15H21NO4 — CID 3316589

IUPACethyl 3-[(2-ethoxy-2-oxo-1-phenylethyl)amino]propanoate
SMILESCCOC(=O)CCNC(C(=O)OCC)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-3-19-13(17)10-11-16-14(15(18)20-4-2)12-8-6-5-7-9-12/h5-9,14,16H,3-4,10-11H2,1-2H3
InChIKeyMKPUVCSHINVRCP-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.83
Rot. Bonds8

About ethyl 3-[(2-ethoxy-2-oxo-1-phenylethyl)amino]propanoate

ethyl 3-[(2-ethoxy-2-oxo-1-phenylethyl)amino]propanoate (PubChem CID 3316589) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 3-[(2-ethoxy-2-oxo-1-phenylethyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-ethoxy-2-oxo-1-phenylethyl)amino]propanoate
PubChem CID3316589
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nameethyl 3-[(2-ethoxy-2-oxo-1-phenylethyl)amino]propanoate
SMILESCCOC(=O)CCNC(C(=O)OCC)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-3-19-13(17)10-11-16-14(15(18)20-4-2)12-8-6-5-7-9-12/h5-9,14,16H,3-4,10-11H2,1-2H3
InChIKeyMKPUVCSHINVRCP-UHFFFAOYSA-N
XLogP1.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[(2-ethoxy-2-oxo-1-phenylethyl)amino]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 3-[(2-ethoxy-2-oxo-1-phenylethyl)amino]propanoate?
The IUPAC name of ethyl 3-[(2-ethoxy-2-oxo-1-phenylethyl)amino]propanoate (CID 3316589) is ethyl 3-[(2-ethoxy-2-oxo-1-phenylethyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(2-ethoxy-2-oxo-1-phenylethyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(2-ethoxy-2-oxo-1-phenylethyl)amino]propanoate is CCOC(=O)CCNC(C(=O)OCC)c1ccccc1.
What is the InChIKey of ethyl 3-[(2-ethoxy-2-oxo-1-phenylethyl)amino]propanoate?
The InChIKey is MKPUVCSHINVRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-19-13(17)10-11-16-14(15(18)20-4-2)12-8-6-5-7-9-12/h5-9,14,16H,3-4,10-11H2,1-2H3.
What are the key properties of ethyl 3-[(2-ethoxy-2-oxo-1-phenylethyl)amino]propanoate?
ethyl 3-[(2-ethoxy-2-oxo-1-phenylethyl)amino]propanoate has a molecular weight of 279.34 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-ethoxy-2-oxo-1-phenylethyl)amino]propanoate is sourced from PubChem (CID 3316589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).