ethyl 2-[(2-ethoxy-2-oxoethyl)-(5-hydroxypentyl)amino]acetate

C13H25NO5 — CID 168943774

IUPACethyl 2-[(2-ethoxy-2-oxoethyl)-(5-hydroxypentyl)amino]acetate
SMILESCCOC(=O)CN(CCCCCO)CC(=O)OCC
InChIInChI=1S/C13H25NO5/c1-3-18-12(16)10-14(8-6-5-7-9-15)11-13(17)19-4-2/h15H,3-11H2,1-2H3
InChIKeyXFEPCBHIXUXOEL-UHFFFAOYSA-N
MW275.34 g/mol
LogP0.58
Rot. Bonds11

About ethyl 2-[(2-ethoxy-2-oxoethyl)-(5-hydroxypentyl)amino]acetate

ethyl 2-[(2-ethoxy-2-oxoethyl)-(5-hydroxypentyl)amino]acetate (PubChem CID 168943774) has the molecular formula C13H25NO5 and a molecular weight of 275.34 g/mol. Its IUPAC name is ethyl 2-[(2-ethoxy-2-oxoethyl)-(5-hydroxypentyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-ethoxy-2-oxoethyl)-(5-hydroxypentyl)amino]acetate
PubChem CID168943774
Molecular FormulaC13H25NO5
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Nameethyl 2-[(2-ethoxy-2-oxoethyl)-(5-hydroxypentyl)amino]acetate
SMILESCCOC(=O)CN(CCCCCO)CC(=O)OCC
InChIInChI=1S/C13H25NO5/c1-3-18-12(16)10-14(8-6-5-7-9-15)11-13(17)19-4-2/h15H,3-11H2,1-2H3
InChIKeyXFEPCBHIXUXOEL-UHFFFAOYSA-N
XLogP0.58
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(2-ethoxy-2-oxoethyl)-(5-hydroxypentyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethyl)-(5-hydroxypentyl)amino]acetate (CID 168943774) is ethyl 2-[(2-ethoxy-2-oxoethyl)-(5-hydroxypentyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-ethoxy-2-oxoethyl)-(5-hydroxypentyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-ethoxy-2-oxoethyl)-(5-hydroxypentyl)amino]acetate is CCOC(=O)CN(CCCCCO)CC(=O)OCC.
What is the InChIKey of ethyl 2-[(2-ethoxy-2-oxoethyl)-(5-hydroxypentyl)amino]acetate?
The InChIKey is XFEPCBHIXUXOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5/c1-3-18-12(16)10-14(8-6-5-7-9-15)11-13(17)19-4-2/h15H,3-11H2,1-2H3.
What are the key properties of ethyl 2-[(2-ethoxy-2-oxoethyl)-(5-hydroxypentyl)amino]acetate?
ethyl 2-[(2-ethoxy-2-oxoethyl)-(5-hydroxypentyl)amino]acetate has a molecular weight of 275.34 g/mol, XLogP of 0.58, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-ethoxy-2-oxoethyl)-(5-hydroxypentyl)amino]acetate is sourced from PubChem (CID 168943774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).