2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide

C25H24N2O3 — CID 46902739

IUPAC2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide
SMILESCOc1ccc([C@H]2CN(c3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H24N2O3/c1-30-21-14-12-18(13-15-21)23-17-27(20-10-6-3-7-11-20)25(29)22(23)16-24(28)26-19-8-4-2-5-9-19/h2-15,22-23H,16-17H2,1H3,(H,26,28)/t22-,23-/m1/s1
InChIKeyGRWGHZJXOVNCII-DHIUTWEWSA-N
MW400.48 g/mol
LogP4.47
Rot. Bonds6

About 2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide

2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide (PubChem CID 46902739) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide
PubChem CID46902739
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide
SMILESCOc1ccc([C@H]2CN(c3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H24N2O3/c1-30-21-14-12-18(13-15-21)23-17-27(20-10-6-3-7-11-20)25(29)22(23)16-24(28)26-19-8-4-2-5-9-19/h2-15,22-23H,16-17H2,1H3,(H,26,28)/t22-,23-/m1/s1
InChIKeyGRWGHZJXOVNCII-DHIUTWEWSA-N
XLogP4.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide 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,4S)-4-(4-methoxyphenyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide (CID 46902739) is 2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide is COc1ccc([C@H]2CN(c3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide?
The InChIKey is GRWGHZJXOVNCII-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-30-21-14-12-18(13-15-21)23-17-27(20-10-6-3-7-11-20)25(29)22(23)16-24(28)26-19-8-4-2-5-9-19/h2-15,22-23H,16-17H2,1H3,(H,26,28)/t22-,23-/m1/s1.
What are the key properties of 2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide?
2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide has a molecular weight of 400.48 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide is sourced from PubChem (CID 46902739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).