ethyl 2-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]acetate

C11H22N2O3 — CID 55207794

IUPACethyl 2-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]acetate
SMILESCCCNC(=O)CN(CC)CC(=O)OCC
InChIInChI=1S/C11H22N2O3/c1-4-7-12-10(14)8-13(5-2)9-11(15)16-6-3/h4-9H2,1-3H3,(H,12,14)
InChIKeyQPSMZKVJXWJTIL-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.40
Rot. Bonds8

About ethyl 2-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]acetate

ethyl 2-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]acetate (PubChem CID 55207794) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 2-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]acetate
PubChem CID55207794
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nameethyl 2-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]acetate
SMILESCCCNC(=O)CN(CC)CC(=O)OCC
InChIInChI=1S/C11H22N2O3/c1-4-7-12-10(14)8-13(5-2)9-11(15)16-6-3/h4-9H2,1-3H3,(H,12,14)
InChIKeyQPSMZKVJXWJTIL-UHFFFAOYSA-N
XLogP0.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate
CID 60965392
2-[ethyl(propyl)amino]-N-propylacetamide
CID 135183244
ethyl 2-[methyl(propylcarbamoyl)amino]acetate
CID 10241951
N-butyl-2-(diethylamino)acetamide
CID 54813643
ethyl 4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butanoate
CID 61149555
ethyl 2-[[2-(2-aminoethylamino)-2-oxoethyl]-methylamino]acetate
CID 63381111
ethyl 4-[2-[ethyl(propyl)amino]ethylamino]-4-oxobutanoate
CID 113247689
2-[bis(2-hydroxyethyl)amino]-N-propylacetamide
CID 60686308
3-[[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62853139
ethyl 2-[ethyl(heptyl)amino]acetate
CID 55208036
3-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-methylpropanoic acid
CID 62852615
butyl 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]acetate
CID 61067683

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]acetate?
The IUPAC name of ethyl 2-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]acetate (CID 55207794) is ethyl 2-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]acetate is CCCNC(=O)CN(CC)CC(=O)OCC.
What is the InChIKey of ethyl 2-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]acetate?
The InChIKey is QPSMZKVJXWJTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-7-12-10(14)8-13(5-2)9-11(15)16-6-3/h4-9H2,1-3H3,(H,12,14).
What are the key properties of ethyl 2-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]acetate?
ethyl 2-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]acetate has a molecular weight of 230.31 g/mol, XLogP of 0.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]acetate is sourced from PubChem (CID 55207794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).