[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate

C19H22N2O4 — CID 7603220

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NCCO)NCCc1ccccc1
InChIInChI=1S/C19H22N2O4/c22-13-12-20-17-9-5-4-8-16(17)19(24)25-14-18(23)21-11-10-15-6-2-1-3-7-15/h1-9,20,22H,10-14H2,(H,21,23)
InChIKeyPUQIWSXWVDZOMO-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.61
Rot. Bonds9

About [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate

[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate (PubChem CID 7603220) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate
PubChem CID7603220
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NCCO)NCCc1ccccc1
InChIInChI=1S/C19H22N2O4/c22-13-12-20-17-9-5-4-8-16(17)19(24)25-14-18(23)21-11-10-15-6-2-1-3-7-15/h1-9,20,22H,10-14H2,(H,21,23)
InChIKeyPUQIWSXWVDZOMO-UHFFFAOYSA-N
XLogP1.61
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate (CID 7603220) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate is O=C(COC(=O)c1ccccc1NCCO)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate?
The InChIKey is PUQIWSXWVDZOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-13-12-20-17-9-5-4-8-16(17)19(24)25-14-18(23)21-11-10-15-6-2-1-3-7-15/h1-9,20,22H,10-14H2,(H,21,23).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate has a molecular weight of 342.40 g/mol, XLogP of 1.61, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-hydroxyethylamino)benzoate is sourced from PubChem (CID 7603220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).