ethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate

C16H29NO8 — CID 102349258

IUPACethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate
SMILESCCOC(=O)COCCN(CCOCC(=O)OCC)CC(=O)OCC
InChIInChI=1S/C16H29NO8/c1-4-23-14(18)11-17(7-9-21-12-15(19)24-5-2)8-10-22-13-16(20)25-6-3/h4-13H2,1-3H3
InChIKeyZJKNQLIZGJGNBW-UHFFFAOYSA-N
MW363.41 g/mol
LogP0.01
Rot. Bonds15

About ethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate

ethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate (PubChem CID 102349258) has the molecular formula C16H29NO8 and a molecular weight of 363.41 g/mol. Its IUPAC name is ethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate
PubChem CID102349258
Molecular FormulaC16H29NO8
Molecular Weight363.41 g/mol
Exact Mass363.19
IUPAC Nameethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate
SMILESCCOC(=O)COCCN(CCOCC(=O)OCC)CC(=O)OCC
InChIInChI=1S/C16H29NO8/c1-4-23-14(18)11-17(7-9-21-12-15(19)24-5-2)8-10-22-13-16(20)25-6-3/h4-13H2,1-3H3
InChIKeyZJKNQLIZGJGNBW-UHFFFAOYSA-N
XLogP0.01
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate?
The IUPAC name of ethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate (CID 102349258) is ethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate?
The canonical SMILES for ethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate is CCOC(=O)COCCN(CCOCC(=O)OCC)CC(=O)OCC.
What is the InChIKey of ethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate?
The InChIKey is ZJKNQLIZGJGNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO8/c1-4-23-14(18)11-17(7-9-21-12-15(19)24-5-2)8-10-22-13-16(20)25-6-3/h4-13H2,1-3H3.
What are the key properties of ethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate?
ethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate has a molecular weight of 363.41 g/mol, XLogP of 0.01, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate is sourced from PubChem (CID 102349258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).