[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate

C13H16FNO5 — CID 7791412

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
SMILESCOCCNC(=O)COC(=O)COc1ccc(F)cc1
InChIInChI=1S/C13H16FNO5/c1-18-7-6-15-12(16)8-20-13(17)9-19-11-4-2-10(14)3-5-11/h2-5H,6-9H2,1H3,(H,15,16)
InChIKeyZUJHMDONRQLVSB-UHFFFAOYSA-N
MW285.27 g/mol
LogP0.51
Rot. Bonds8

About [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate

[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate (PubChem CID 7791412) has the molecular formula C13H16FNO5 and a molecular weight of 285.27 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
PubChem CID7791412
Molecular FormulaC13H16FNO5
Molecular Weight285.27 g/mol
Exact Mass285.10
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
SMILESCOCCNC(=O)COC(=O)COc1ccc(F)cc1
InChIInChI=1S/C13H16FNO5/c1-18-7-6-15-12(16)8-20-13(17)9-19-11-4-2-10(14)3-5-11/h2-5H,6-9H2,1H3,(H,15,16)
InChIKeyZUJHMDONRQLVSB-UHFFFAOYSA-N
XLogP0.51
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 50.51
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

[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-aminophenoxy)acetate
CID 61485546
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846555
3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 110678607
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 27913717
2-(4-hydroxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 61485470
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791448
methyl 2-(4-fluorophenoxy)acetate
CID 580550
2-(4-fluorophenoxy)-N-(2-methoxyethoxy)acetamide
CID 79676788
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791750
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate
CID 2506688
2-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 81421514
3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide
CID 70870353

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate (CID 7791412) is [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate is COCCNC(=O)COC(=O)COc1ccc(F)cc1.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The InChIKey is ZUJHMDONRQLVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO5/c1-18-7-6-15-12(16)8-20-13(17)9-19-11-4-2-10(14)3-5-11/h2-5H,6-9H2,1H3,(H,15,16).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate has a molecular weight of 285.27 g/mol, XLogP of 0.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate is sourced from PubChem (CID 7791412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).