[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-methylphenoxy)acetate

C19H21NO4 — CID 7767845

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)NCCc1ccccc1
InChIInChI=1S/C19H21NO4/c1-15-7-5-6-10-17(15)23-14-19(22)24-13-18(21)20-12-11-16-8-3-2-4-9-16/h2-10H,11-14H2,1H3,(H,20,21)
InChIKeyHXJVXWPAZNWYMH-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.28
Rot. Bonds8

About [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-methylphenoxy)acetate

[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-methylphenoxy)acetate (PubChem CID 7767845) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-methylphenoxy)acetate
PubChem CID7767845
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)NCCc1ccccc1
InChIInChI=1S/C19H21NO4/c1-15-7-5-6-10-17(15)23-14-19(22)24-13-18(21)20-12-11-16-8-3-2-4-9-16/h2-10H,11-14H2,1H3,(H,20,21)
InChIKeyHXJVXWPAZNWYMH-UHFFFAOYSA-N
XLogP2.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-methylphenoxy)acetate (CID 7767845) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)OCC(=O)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-methylphenoxy)acetate?
The InChIKey is HXJVXWPAZNWYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-15-7-5-6-10-17(15)23-14-19(22)24-13-18(21)20-12-11-16-8-3-2-4-9-16/h2-10H,11-14H2,1H3,(H,20,21).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-methylphenoxy)acetate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-methylphenoxy)acetate has a molecular weight of 327.38 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 7767845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).