ethyl 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethoxy]acetate

C12H24N2O4 — CID 103263560

IUPACethyl 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethoxy]acetate
SMILESCCOC(=O)COCCNCC(=O)N(CC)CC
InChIInChI=1S/C12H24N2O4/c1-4-14(5-2)11(15)9-13-7-8-17-10-12(16)18-6-3/h13H,4-10H2,1-3H3
InChIKeyKTGHYSWJMHRQEI-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.02
Rot. Bonds10

About ethyl 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethoxy]acetate

ethyl 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethoxy]acetate (PubChem CID 103263560) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethoxy]acetate
PubChem CID103263560
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Nameethyl 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethoxy]acetate
SMILESCCOC(=O)COCCNCC(=O)N(CC)CC
InChIInChI=1S/C12H24N2O4/c1-4-14(5-2)11(15)9-13-7-8-17-10-12(16)18-6-3/h13H,4-10H2,1-3H3
InChIKeyKTGHYSWJMHRQEI-UHFFFAOYSA-N
XLogP0.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]acetamide
CID 104562812
ethyl 2-[2-(but-2-ynylamino)ethoxy]acetate
CID 103265382
ethyl 2-[2-(ethoxyamino)ethoxy]acetate
CID 103254485
ethyl 2-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethoxy]acetate
CID 103260351
ethyl 2-[2-(cyclopentylmethylamino)ethoxy]acetate
CID 103237731
methyl 3-[2-(2-ethoxy-2-oxoethoxy)ethylamino]-2,2-dimethylpropanoate
CID 114283912
N,N-diethyl-2-(propylamino)acetamide
CID 15103931
2-[[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide
CID 56638226
ethyl 2-[2-[(2-methyl-2-methylsulfanylpropyl)amino]ethoxy]acetate
CID 103265328
ethyl 2-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethoxy]acetate
CID 114150258
ethyl 2-[2-(4-methylsulfanylbutylamino)ethoxy]acetate
CID 103264028
N,N-dimethyl-2-[2-(2-methylprop-2-enoxy)ethylamino]acetamide
CID 114467467

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethoxy]acetate (CID 103263560) is ethyl 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethoxy]acetate is CCOC(=O)COCCNCC(=O)N(CC)CC.
What is the InChIKey of ethyl 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethoxy]acetate?
The InChIKey is KTGHYSWJMHRQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-4-14(5-2)11(15)9-13-7-8-17-10-12(16)18-6-3/h13H,4-10H2,1-3H3.
What are the key properties of ethyl 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethoxy]acetate?
ethyl 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethoxy]acetate has a molecular weight of 260.33 g/mol, XLogP of 0.02, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethoxy]acetate is sourced from PubChem (CID 103263560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).