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

C25H24N2O4 — CID 16533034

IUPAC[2-oxo-2-(1-phenylethylamino)ethyl] 2-[(4-phenylbenzoyl)amino]acetate
SMILESCC(NC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H24N2O4/c1-18(19-8-4-2-5-9-19)27-23(28)17-31-24(29)16-26-25(30)22-14-12-21(13-15-22)20-10-6-3-7-11-20/h2-15,18H,16-17H2,1H3,(H,26,30)(H,27,28)
InChIKeyXVKQNVYBRMGZKH-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.50
Rot. Bonds8

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

[2-oxo-2-(1-phenylethylamino)ethyl] 2-[(4-phenylbenzoyl)amino]acetate (PubChem CID 16533034) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(4-phenylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylethylamino)ethyl] 2-[(4-phenylbenzoyl)amino]acetate
PubChem CID16533034
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name[2-oxo-2-(1-phenylethylamino)ethyl] 2-[(4-phenylbenzoyl)amino]acetate
SMILESCC(NC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H24N2O4/c1-18(19-8-4-2-5-9-19)27-23(28)17-31-24(29)16-26-25(30)22-14-12-21(13-15-22)20-10-6-3-7-11-20/h2-15,18H,16-17H2,1H3,(H,26,30)(H,27,28)
InChIKeyXVKQNVYBRMGZKH-UHFFFAOYSA-N
XLogP3.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
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-phenylbenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(4-phenylbenzoyl)amino]acetate (CID 16533034) is [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(4-phenylbenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(4-phenylbenzoyl)amino]acetate is CC(NC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The InChIKey is XVKQNVYBRMGZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-18(19-8-4-2-5-9-19)27-23(28)17-31-24(29)16-26-25(30)22-14-12-21(13-15-22)20-10-6-3-7-11-20/h2-15,18H,16-17H2,1H3,(H,26,30)(H,27,28).
What are the key properties of [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(4-phenylbenzoyl)amino]acetate?
[2-oxo-2-(1-phenylethylamino)ethyl] 2-[(4-phenylbenzoyl)amino]acetate has a molecular weight of 416.48 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 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-phenylbenzoyl)amino]acetate is sourced from PubChem (CID 16533034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).