2-(4-acetamidophenoxy)ethyl 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetate

C24H28N2O5 — CID 175838157

IUPAC2-(4-acetamidophenoxy)ethyl 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetate
SMILESCC(=O)Nc1ccc(OCCOC(=O)CC2CCC(=O)N2Cc2ccc(C)cc2)cc1
InChIInChI=1S/C24H28N2O5/c1-17-3-5-19(6-4-17)16-26-21(9-12-23(26)28)15-24(29)31-14-13-30-22-10-7-20(8-11-22)25-18(2)27/h3-8,10-11,21H,9,12-16H2,1-2H3,(H,25,27)
InChIKeyYGGNQIBGMUDQET-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.46
Rot. Bonds9

About 2-(4-acetamidophenoxy)ethyl 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetate

2-(4-acetamidophenoxy)ethyl 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetate (PubChem CID 175838157) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-(4-acetamidophenoxy)ethyl 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetate.

Molecular Properties

Compound Name2-(4-acetamidophenoxy)ethyl 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetate
PubChem CID175838157
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name2-(4-acetamidophenoxy)ethyl 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetate
SMILESCC(=O)Nc1ccc(OCCOC(=O)CC2CCC(=O)N2Cc2ccc(C)cc2)cc1
InChIInChI=1S/C24H28N2O5/c1-17-3-5-19(6-4-17)16-26-21(9-12-23(26)28)15-24(29)31-14-13-30-22-10-7-20(8-11-22)25-18(2)27/h3-8,10-11,21H,9,12-16H2,1-2H3,(H,25,27)
InChIKeyYGGNQIBGMUDQET-UHFFFAOYSA-N
XLogP3.46
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-acetamidophenoxy)ethyl 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dimethylphenoxy)ethyl 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetate
CID 175838008
N-[4-[2-(4-methylphenyl)ethoxy]phenyl]acetamide
CID 13017655
2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide
CID 166541670
methyl 3-[[2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]butanoate
CID 175838128
(5R)-1-[(4-methylphenyl)methyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
CID 175838048
2-(4-ethoxyphenoxy)ethyl 2-(4-acetamidophenyl)acetate
CID 8610737
methyl 2-[1-[(3,4-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate
CID 175838120
methyl 4-[[2-[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]ethylamino]methyl]benzoate
CID 26344788
N-[2-(2,5-dichlorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide
CID 166541716
2-(4-methylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 55323838
5-[[4-(2-methoxyethoxy)-3-propoxyphenyl]methyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 163509902
[4-(methanesulfonamido)phenyl]methyl (2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylate
CID 146496858

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenoxy)ethyl 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetate?
The IUPAC name of 2-(4-acetamidophenoxy)ethyl 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetate (CID 175838157) is 2-(4-acetamidophenoxy)ethyl 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetate.
What is the SMILES notation for 2-(4-acetamidophenoxy)ethyl 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetate?
The canonical SMILES for 2-(4-acetamidophenoxy)ethyl 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetate is CC(=O)Nc1ccc(OCCOC(=O)CC2CCC(=O)N2Cc2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-acetamidophenoxy)ethyl 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetate?
The InChIKey is YGGNQIBGMUDQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-17-3-5-19(6-4-17)16-26-21(9-12-23(26)28)15-24(29)31-14-13-30-22-10-7-20(8-11-22)25-18(2)27/h3-8,10-11,21H,9,12-16H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-acetamidophenoxy)ethyl 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetate?
2-(4-acetamidophenoxy)ethyl 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetate has a molecular weight of 424.50 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenoxy)ethyl 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetate is sourced from PubChem (CID 175838157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).