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

C14H19NO3 — CID 11459339

IUPACethyl 2-[benzyl(2-oxopropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)=O)Cc1ccccc1
InChIInChI=1S/C14H19NO3/c1-3-18-14(17)11-15(9-12(2)16)10-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3
InChIKeyWRMMDSOPPOKDKO-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.64
Rot. Bonds7

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

ethyl 2-[benzyl(2-oxopropyl)amino]acetate (PubChem CID 11459339) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 2-[benzyl(2-oxopropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl(2-oxopropyl)amino]acetate
PubChem CID11459339
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nameethyl 2-[benzyl(2-oxopropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)=O)Cc1ccccc1
InChIInChI=1S/C14H19NO3/c1-3-18-14(17)11-15(9-12(2)16)10-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3
InChIKeyWRMMDSOPPOKDKO-UHFFFAOYSA-N
XLogP1.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl(2-oxopropyl)amino]acetate?
The IUPAC name of ethyl 2-[benzyl(2-oxopropyl)amino]acetate (CID 11459339) is ethyl 2-[benzyl(2-oxopropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl(2-oxopropyl)amino]acetate?
The canonical SMILES for ethyl 2-[benzyl(2-oxopropyl)amino]acetate is CCOC(=O)CN(CC(C)=O)Cc1ccccc1.
What is the InChIKey of ethyl 2-[benzyl(2-oxopropyl)amino]acetate?
The InChIKey is WRMMDSOPPOKDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-18-14(17)11-15(9-12(2)16)10-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3.
What are the key properties of ethyl 2-[benzyl(2-oxopropyl)amino]acetate?
ethyl 2-[benzyl(2-oxopropyl)amino]acetate has a molecular weight of 249.31 g/mol, XLogP of 1.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl(2-oxopropyl)amino]acetate is sourced from PubChem (CID 11459339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).