Ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate

Name: Ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₂₃NO₄ — CID 78925570

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate

SMILESCCOCCC(=O)N(CC(=O)OCC)Cc1ccccc1

InChIInChI=1S/C16H23NO4/c1-3-20-11-10-15(18)17(13-16(19)21-4-2)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3

InChIKeyOCLLFWYIBBDLTE-UHFFFAOYSA-N

MW293.36 g/mol

LogP2.00

Rot. Bonds9

About Ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate

Ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate (PubChem CID 78925570) has the molecular formula C₁₆H₂₃NO₄ and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate.

Molecular Properties

Compound Name	Ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate
PubChem CID	78925570
Molecular Formula	C₁₆H₂₃NO₄
Molecular Weight	293.36 g/mol
Exact Mass	293.16
IUPAC Name	ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate
SMILES	CCOCCC(=O)N(CC(=O)OCC)Cc1ccccc1
InChI	InChI=1S/C16H23NO4/c1-3-20-11-10-15(18)17(13-16(19)21-4-2)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
InChIKey	OCLLFWYIBBDLTE-UHFFFAOYSA-N
XLogP	2.00
TPSA	55.84 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	9
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.36
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate?

The IUPAC name of Ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate (CID 78925570) is ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate.

What is the SMILES notation for Ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate?

The canonical SMILES for Ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate is CCOCCC(=O)N(CC(=O)OCC)Cc1ccccc1.

What is the InChIKey of Ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate?

The InChIKey is OCLLFWYIBBDLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-20-11-10-15(18)17(13-16(19)21-4-2)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3.

What are the key properties of Ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate?

Ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate has a molecular weight of 293.36 g/mol, XLogP of 2.00, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate is sourced from PubChem (CID 78925570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 78925570 — identifiers, structure, computed properties (public domain)

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