[2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenoxy)acetate

C18H18ClNO4 — CID 5218824

IUPAC[2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenoxy)acetate
SMILESCC(NC(=O)COC(=O)COc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H18ClNO4/c1-13(14-5-3-2-4-6-14)20-17(21)11-24-18(22)12-23-16-9-7-15(19)8-10-16/h2-10,13H,11-12H2,1H3,(H,20,21)
InChIKeyCDPQAVKXRBEPGJ-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.14
Rot. Bonds7

About [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenoxy)acetate

[2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenoxy)acetate (PubChem CID 5218824) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenoxy)acetate
PubChem CID5218824
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name[2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenoxy)acetate
SMILESCC(NC(=O)COC(=O)COc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H18ClNO4/c1-13(14-5-3-2-4-6-14)20-17(21)11-24-18(22)12-23-16-9-7-15(19)8-10-16/h2-10,13H,11-12H2,1H3,(H,20,21)
InChIKeyCDPQAVKXRBEPGJ-UHFFFAOYSA-N
XLogP3.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenoxy)acetate?
The IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenoxy)acetate (CID 5218824) is [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenoxy)acetate?
The canonical SMILES for [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenoxy)acetate is CC(NC(=O)COC(=O)COc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenoxy)acetate?
The InChIKey is CDPQAVKXRBEPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-13(14-5-3-2-4-6-14)20-17(21)11-24-18(22)12-23-16-9-7-15(19)8-10-16/h2-10,13H,11-12H2,1H3,(H,20,21).
What are the key properties of [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenoxy)acetate?
[2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenoxy)acetate has a molecular weight of 347.80 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 5218824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).