[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate

C14H17FN2O5 — CID 4795763

IUPAC[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCOCCNC(=O)NC(=O)COC(=O)Cc1ccccc1F
InChIInChI=1S/C14H17FN2O5/c1-21-7-6-16-14(20)17-12(18)9-22-13(19)8-10-4-2-3-5-11(10)15/h2-5H,6-9H2,1H3,(H2,16,17,18,20)
InChIKeyXLBDMMCAIFCXCM-UHFFFAOYSA-N
MW312.30 g/mol
LogP0.38
Rot. Bonds7

About [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate

[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate (PubChem CID 4795763) has the molecular formula C14H17FN2O5 and a molecular weight of 312.30 g/mol. Its IUPAC name is [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
PubChem CID4795763
Molecular FormulaC14H17FN2O5
Molecular Weight312.30 g/mol
Exact Mass312.11
IUPAC Name[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCOCCNC(=O)NC(=O)COC(=O)Cc1ccccc1F
InChIInChI=1S/C14H17FN2O5/c1-21-7-6-16-14(20)17-12(18)9-22-13(19)8-10-4-2-3-5-11(10)15/h2-5H,6-9H2,1H3,(H2,16,17,18,20)
InChIKeyXLBDMMCAIFCXCM-UHFFFAOYSA-N
XLogP0.38
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 50.38
H-Bond Donors ≤ 52
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 [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate (CID 4795763) is [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate is COCCNC(=O)NC(=O)COC(=O)Cc1ccccc1F.
What is the InChIKey of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is XLBDMMCAIFCXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O5/c1-21-7-6-16-14(20)17-12(18)9-22-13(19)8-10-4-2-3-5-11(10)15/h2-5H,6-9H2,1H3,(H2,16,17,18,20).
What are the key properties of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 312.30 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 4795763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).