[2-oxo-2-(1-phenylbutylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate

C24H28N2O5 — CID 55444121

IUPAC[2-oxo-2-(1-phenylbutylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
SMILESCCCC(NC(=O)COC(=O)COc1ccc(N2CCCC2=O)cc1)c1ccccc1
InChIInChI=1S/C24H28N2O5/c1-2-7-21(18-8-4-3-5-9-18)25-22(27)16-31-24(29)17-30-20-13-11-19(12-14-20)26-15-6-10-23(26)28/h3-5,8-9,11-14,21H,2,6-7,10,15-17H2,1H3,(H,25,27)
InChIKeyLGTRBFCQXAIISH-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.39
Rot. Bonds10

About [2-oxo-2-(1-phenylbutylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate

[2-oxo-2-(1-phenylbutylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate (PubChem CID 55444121) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylbutylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylbutylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
PubChem CID55444121
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name[2-oxo-2-(1-phenylbutylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
SMILESCCCC(NC(=O)COC(=O)COc1ccc(N2CCCC2=O)cc1)c1ccccc1
InChIInChI=1S/C24H28N2O5/c1-2-7-21(18-8-4-3-5-9-18)25-22(27)16-31-24(29)17-30-20-13-11-19(12-14-20)26-15-6-10-23(26)28/h3-5,8-9,11-14,21H,2,6-7,10,15-17H2,1H3,(H,25,27)
InChIKeyLGTRBFCQXAIISH-UHFFFAOYSA-N
XLogP3.39
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(1-phenylbutylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate with MolForge

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Related Compounds

[2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 55442410
(2S)-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-phenylacetic acid
CID 119372482
[2-oxo-2-(pentylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 38901895
N-(1-aminohexan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119667044
phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 27444483
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7519168
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7519166
N-(3-methylbutan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 51228621
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7888390
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2-chlorophenoxy)acetate
CID 7519105
[2-oxo-2-(1-phenylbutylamino)ethyl] 2-(2-chlorophenoxy)acetate
CID 55366701
[(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8729105

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-phenylbutylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate?
The IUPAC name of [2-oxo-2-(1-phenylbutylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate (CID 55444121) is [2-oxo-2-(1-phenylbutylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate.
What is the SMILES notation for [2-oxo-2-(1-phenylbutylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate?
The canonical SMILES for [2-oxo-2-(1-phenylbutylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate is CCCC(NC(=O)COC(=O)COc1ccc(N2CCCC2=O)cc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(1-phenylbutylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate?
The InChIKey is LGTRBFCQXAIISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-2-7-21(18-8-4-3-5-9-18)25-22(27)16-31-24(29)17-30-20-13-11-19(12-14-20)26-15-6-10-23(26)28/h3-5,8-9,11-14,21H,2,6-7,10,15-17H2,1H3,(H,25,27).
What are the key properties of [2-oxo-2-(1-phenylbutylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate?
[2-oxo-2-(1-phenylbutylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate has a molecular weight of 424.50 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1-phenylbutylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate is sourced from PubChem (CID 55444121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).