[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate

C13H14ClNO5 — CID 2408139

IUPAC[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCOC(=O)CNC(=O)COC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H14ClNO5/c1-19-13(18)7-15-11(16)8-20-12(17)6-9-2-4-10(14)5-3-9/h2-5H,6-8H2,1H3,(H,15,16)
InChIKeyRYKDMIHPOHQYBT-UHFFFAOYSA-N
MW299.71 g/mol
LogP0.71
Rot. Bonds6

About [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate

[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate (PubChem CID 2408139) has the molecular formula C13H14ClNO5 and a molecular weight of 299.71 g/mol. Its IUPAC name is [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
PubChem CID2408139
Molecular FormulaC13H14ClNO5
Molecular Weight299.71 g/mol
Exact Mass299.06
IUPAC Name[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCOC(=O)CNC(=O)COC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H14ClNO5/c1-19-13(18)7-15-11(16)8-20-12(17)6-9-2-4-10(14)5-3-9/h2-5H,6-8H2,1H3,(H,15,16)
InChIKeyRYKDMIHPOHQYBT-UHFFFAOYSA-N
XLogP0.71
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate (CID 2408139) is [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate is COC(=O)CNC(=O)COC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is RYKDMIHPOHQYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO5/c1-19-13(18)7-15-11(16)8-20-12(17)6-9-2-4-10(14)5-3-9/h2-5H,6-8H2,1H3,(H,15,16).
What are the key properties of [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 299.71 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 2408139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).