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

C26H26N2O3 — CID 46902740

IUPAC2-[(3R,4S)-1-benzyl-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide
SMILESCOc1ccc([C@H]2CN(Cc3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C26H26N2O3/c1-31-22-14-12-20(13-15-22)24-18-28(17-19-8-4-2-5-9-19)26(30)23(24)16-25(29)27-21-10-6-3-7-11-21/h2-15,23-24H,16-18H2,1H3,(H,27,29)/t23-,24-/m1/s1
InChIKeyWTRDBPOGCYSCRK-DNQXCXABSA-N
MW414.51 g/mol
LogP4.47
Rot. Bonds7

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

2-[(3R,4S)-1-benzyl-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide (PubChem CID 46902740) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[(3R,4S)-1-benzyl-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3R,4S)-1-benzyl-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide
PubChem CID46902740
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name2-[(3R,4S)-1-benzyl-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide
SMILESCOc1ccc([C@H]2CN(Cc3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C26H26N2O3/c1-31-22-14-12-20(13-15-22)24-18-28(17-19-8-4-2-5-9-19)26(30)23(24)16-25(29)27-21-10-6-3-7-11-21/h2-15,23-24H,16-18H2,1H3,(H,27,29)/t23-,24-/m1/s1
InChIKeyWTRDBPOGCYSCRK-DNQXCXABSA-N
XLogP4.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-1-benzyl-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[(3R,4S)-1-benzyl-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide (CID 46902740) is 2-[(3R,4S)-1-benzyl-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(3R,4S)-1-benzyl-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(3R,4S)-1-benzyl-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide is COc1ccc([C@H]2CN(Cc3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[(3R,4S)-1-benzyl-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
The InChIKey is WTRDBPOGCYSCRK-DNQXCXABSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-31-22-14-12-20(13-15-22)24-18-28(17-19-8-4-2-5-9-19)26(30)23(24)16-25(29)27-21-10-6-3-7-11-21/h2-15,23-24H,16-18H2,1H3,(H,27,29)/t23-,24-/m1/s1.
What are the key properties of 2-[(3R,4S)-1-benzyl-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
2-[(3R,4S)-1-benzyl-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide has a molecular weight of 414.51 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-1-benzyl-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide is sourced from PubChem (CID 46902740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).