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

C21H24N2O4 — CID 24980945

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 3-acetamido-3-phenylpropanoate
SMILESCC(=O)NC(CC(=O)OCC(=O)NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2O4/c1-16(24)23-19(18-10-6-3-7-11-18)14-21(26)27-15-20(25)22-13-12-17-8-4-2-5-9-17/h2-11,19H,12-15H2,1H3,(H,22,25)(H,23,24)
InChIKeyVQNAMQZQJHYXAR-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.16
Rot. Bonds9

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

[2-oxo-2-(2-phenylethylamino)ethyl] 3-acetamido-3-phenylpropanoate (PubChem CID 24980945) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 3-acetamido-3-phenylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 3-acetamido-3-phenylpropanoate
PubChem CID24980945
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 3-acetamido-3-phenylpropanoate
SMILESCC(=O)NC(CC(=O)OCC(=O)NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2O4/c1-16(24)23-19(18-10-6-3-7-11-18)14-21(26)27-15-20(25)22-13-12-17-8-4-2-5-9-17/h2-11,19H,12-15H2,1H3,(H,22,25)(H,23,24)
InChIKeyVQNAMQZQJHYXAR-UHFFFAOYSA-N
XLogP2.16
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 3-acetamido-3-phenylpropanoate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 3-acetamido-3-phenylpropanoate (CID 24980945) is [2-oxo-2-(2-phenylethylamino)ethyl] 3-acetamido-3-phenylpropanoate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 3-acetamido-3-phenylpropanoate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 3-acetamido-3-phenylpropanoate is CC(=O)NC(CC(=O)OCC(=O)NCCc1ccccc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 3-acetamido-3-phenylpropanoate?
The InChIKey is VQNAMQZQJHYXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-16(24)23-19(18-10-6-3-7-11-18)14-21(26)27-15-20(25)22-13-12-17-8-4-2-5-9-17/h2-11,19H,12-15H2,1H3,(H,22,25)(H,23,24).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 3-acetamido-3-phenylpropanoate?
[2-oxo-2-(2-phenylethylamino)ethyl] 3-acetamido-3-phenylpropanoate has a molecular weight of 368.43 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 3-acetamido-3-phenylpropanoate is sourced from PubChem (CID 24980945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).