ethyl 2-[bis(2-ethoxyethyl)amino]acetate

C12H25NO4 — CID 24838487

IUPACethyl 2-[bis(2-ethoxyethyl)amino]acetate
SMILESCCOCCN(CCOCC)CC(=O)OCC
InChIInChI=1S/C12H25NO4/c1-4-15-9-7-13(8-10-16-5-2)11-12(14)17-6-3/h4-11H2,1-3H3
InChIKeyWIVGKIJWHFVGJU-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.92
Rot. Bonds11

About ethyl 2-[bis(2-ethoxyethyl)amino]acetate

ethyl 2-[bis(2-ethoxyethyl)amino]acetate (PubChem CID 24838487) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is ethyl 2-[bis(2-ethoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[bis(2-ethoxyethyl)amino]acetate
PubChem CID24838487
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Nameethyl 2-[bis(2-ethoxyethyl)amino]acetate
SMILESCCOCCN(CCOCC)CC(=O)OCC
InChIInChI=1S/C12H25NO4/c1-4-15-9-7-13(8-10-16-5-2)11-12(14)17-6-3/h4-11H2,1-3H3
InChIKeyWIVGKIJWHFVGJU-UHFFFAOYSA-N
XLogP0.92
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[bis(2-ethoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[bis(2-ethoxyethyl)amino]acetate (CID 24838487) is ethyl 2-[bis(2-ethoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[bis(2-ethoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[bis(2-ethoxyethyl)amino]acetate is CCOCCN(CCOCC)CC(=O)OCC.
What is the InChIKey of ethyl 2-[bis(2-ethoxyethyl)amino]acetate?
The InChIKey is WIVGKIJWHFVGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-4-15-9-7-13(8-10-16-5-2)11-12(14)17-6-3/h4-11H2,1-3H3.
What are the key properties of ethyl 2-[bis(2-ethoxyethyl)amino]acetate?
ethyl 2-[bis(2-ethoxyethyl)amino]acetate has a molecular weight of 247.33 g/mol, XLogP of 0.92, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[bis(2-ethoxyethyl)amino]acetate is sourced from PubChem (CID 24838487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).