[2-oxo-2-(2-phenylethylamino)ethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate

C23H25N3O5 — CID 8654014

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)NCCc1ccccc1
InChIInChI=1S/C23H25N3O5/c27-20(24-13-12-17-5-2-1-3-6-17)16-31-22(29)15-25-23(30)18-8-10-19(11-9-18)26-14-4-7-21(26)28/h1-3,5-6,8-11H,4,7,12-16H2,(H,24,27)(H,25,30)
InChIKeyMCNVYMHVMIJPJF-UHFFFAOYSA-N
MW423.47 g/mol
LogP1.45
Rot. Bonds9

About [2-oxo-2-(2-phenylethylamino)ethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate

[2-oxo-2-(2-phenylethylamino)ethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate (PubChem CID 8654014) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
PubChem CID8654014
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)NCCc1ccccc1
InChIInChI=1S/C23H25N3O5/c27-20(24-13-12-17-5-2-1-3-6-17)16-31-22(29)15-25-23(30)18-8-10-19(11-9-18)26-14-4-7-21(26)28/h1-3,5-6,8-11H,4,7,12-16H2,(H,24,27)(H,25,30)
InChIKeyMCNVYMHVMIJPJF-UHFFFAOYSA-N
XLogP1.45
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(2-phenylethylamino)ethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate with MolForge

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
CID 8653826
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
CID 8653981
(2-oxo-2-piperidin-1-ylethyl) 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
CID 8654052
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881701
N-[2-(2-hydroxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110619378
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-phenylpropanoate
CID 9416104
(2-benzamido-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952883
N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9163432
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
CID 8664099
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9041718

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate (CID 8654014) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate is O=C(COC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate?
The InChIKey is MCNVYMHVMIJPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c27-20(24-13-12-17-5-2-1-3-6-17)16-31-22(29)15-25-23(30)18-8-10-19(11-9-18)26-14-4-7-21(26)28/h1-3,5-6,8-11H,4,7,12-16H2,(H,24,27)(H,25,30).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate has a molecular weight of 423.47 g/mol, XLogP of 1.45, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate is sourced from PubChem (CID 8654014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).