[2-oxo-2-(1-phenylethylamino)ethyl] 3-phenylpropanoate

C19H21NO3 — CID 3603162

IUPAC[2-oxo-2-(1-phenylethylamino)ethyl] 3-phenylpropanoate
SMILESCC(NC(=O)COC(=O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-15(17-10-6-3-7-11-17)20-18(21)14-23-19(22)13-12-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,20,21)
InChIKeyIJIWMKHADPDKHA-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.04
Rot. Bonds7

About [2-oxo-2-(1-phenylethylamino)ethyl] 3-phenylpropanoate

[2-oxo-2-(1-phenylethylamino)ethyl] 3-phenylpropanoate (PubChem CID 3603162) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylethylamino)ethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylethylamino)ethyl] 3-phenylpropanoate
PubChem CID3603162
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name[2-oxo-2-(1-phenylethylamino)ethyl] 3-phenylpropanoate
SMILESCC(NC(=O)COC(=O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-15(17-10-6-3-7-11-17)20-18(21)14-23-19(22)13-12-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,20,21)
InChIKeyIJIWMKHADPDKHA-UHFFFAOYSA-N
XLogP3.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 3-phenylpropanoate?
The IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 3-phenylpropanoate (CID 3603162) is [2-oxo-2-(1-phenylethylamino)ethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-oxo-2-(1-phenylethylamino)ethyl] 3-phenylpropanoate?
The canonical SMILES for [2-oxo-2-(1-phenylethylamino)ethyl] 3-phenylpropanoate is CC(NC(=O)COC(=O)CCc1ccccc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(1-phenylethylamino)ethyl] 3-phenylpropanoate?
The InChIKey is IJIWMKHADPDKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-15(17-10-6-3-7-11-17)20-18(21)14-23-19(22)13-12-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,20,21).
What are the key properties of [2-oxo-2-(1-phenylethylamino)ethyl] 3-phenylpropanoate?
[2-oxo-2-(1-phenylethylamino)ethyl] 3-phenylpropanoate has a molecular weight of 311.38 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1-phenylethylamino)ethyl] 3-phenylpropanoate is sourced from PubChem (CID 3603162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).