2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide

C28H30N2O3 — CID 46902957

IUPAC2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[C@H]2C(=O)N(CCc3ccccc3)C[C@@H]2Cc2ccccc2)cc1
InChIInChI=1S/C28H30N2O3/c1-33-25-14-12-24(13-15-25)29-27(31)19-26-23(18-22-10-6-3-7-11-22)20-30(28(26)32)17-16-21-8-4-2-5-9-21/h2-15,23,26H,16-20H2,1H3,(H,29,31)/t23-,26+/m0/s1
InChIKeyGUDDUGPDVORUFR-JYFHCDHNSA-N
MW442.56 g/mol
LogP4.58
Rot. Bonds9

About 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide

2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 46902957) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID46902957
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC Name2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[C@H]2C(=O)N(CCc3ccccc3)C[C@@H]2Cc2ccccc2)cc1
InChIInChI=1S/C28H30N2O3/c1-33-25-14-12-24(13-15-25)29-27(31)19-26-23(18-22-10-6-3-7-11-22)20-30(28(26)32)17-16-21-8-4-2-5-9-21/h2-15,23,26H,16-20H2,1H3,(H,29,31)/t23-,26+/m0/s1
InChIKeyGUDDUGPDVORUFR-JYFHCDHNSA-N
XLogP4.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide (CID 46902957) is 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)C[C@H]2C(=O)N(CCc3ccccc3)C[C@@H]2Cc2ccccc2)cc1.
What is the InChIKey of 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is GUDDUGPDVORUFR-JYFHCDHNSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-33-25-14-12-24(13-15-25)29-27(31)19-26-23(18-22-10-6-3-7-11-22)20-30(28(26)32)17-16-21-8-4-2-5-9-21/h2-15,23,26H,16-20H2,1H3,(H,29,31)/t23-,26+/m0/s1.
What are the key properties of 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide?
2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 442.56 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 46902957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).