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

C22H26N2O2 — CID 46902948

IUPAC2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1C(=O)N(CCc2ccccc2)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C22H26N2O2/c1-23-21(25)15-20-19(14-18-10-6-3-7-11-18)16-24(22(20)26)13-12-17-8-4-2-5-9-17/h2-11,19-20H,12-16H2,1H3,(H,23,25)/t19-,20+/m0/s1
InChIKeyWYNLUBKVDRBTEF-VQTJNVASSA-N
MW350.46 g/mol
LogP2.68
Rot. Bonds7

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

2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-methylacetamide (PubChem CID 46902948) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-methylacetamide
PubChem CID46902948
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1C(=O)N(CCc2ccccc2)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C22H26N2O2/c1-23-21(25)15-20-19(14-18-10-6-3-7-11-18)16-24(22(20)26)13-12-17-8-4-2-5-9-17/h2-11,19-20H,12-16H2,1H3,(H,23,25)/t19-,20+/m0/s1
InChIKeyWYNLUBKVDRBTEF-VQTJNVASSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-methylacetamide (CID 46902948) is 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-methylacetamide is CNC(=O)C[C@H]1C(=O)N(CCc2ccccc2)C[C@@H]1Cc1ccccc1.
What is the InChIKey of 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is WYNLUBKVDRBTEF-VQTJNVASSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-23-21(25)15-20-19(14-18-10-6-3-7-11-18)16-24(22(20)26)13-12-17-8-4-2-5-9-17/h2-11,19-20H,12-16H2,1H3,(H,23,25)/t19-,20+/m0/s1.
What are the key properties of 2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-methylacetamide?
2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 350.46 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 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-methylacetamide is sourced from PubChem (CID 46902948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).