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

C22H26N2O2 — CID 24793592

IUPACN-benzyl-2-[(3R,4R)-4-methyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide
SMILESC[C@H]1CN(CCc2ccccc2)C(=O)[C@@H]1CC(=O)NCc1ccccc1
InChIInChI=1S/C22H26N2O2/c1-17-16-24(13-12-18-8-4-2-5-9-18)22(26)20(17)14-21(25)23-15-19-10-6-3-7-11-19/h2-11,17,20H,12-16H2,1H3,(H,23,25)/t17-,20+/m0/s1
InChIKeyBYVCVVRYJBYXLS-FXAWDEMLSA-N
MW350.46 g/mol
LogP3.03
Rot. Bonds7

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

N-benzyl-2-[(3R,4R)-4-methyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide (PubChem CID 24793592) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-benzyl-2-[(3R,4R)-4-methyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3R,4R)-4-methyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide
PubChem CID24793592
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-benzyl-2-[(3R,4R)-4-methyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide
SMILESC[C@H]1CN(CCc2ccccc2)C(=O)[C@@H]1CC(=O)NCc1ccccc1
InChIInChI=1S/C22H26N2O2/c1-17-16-24(13-12-18-8-4-2-5-9-18)22(26)20(17)14-21(25)23-15-19-10-6-3-7-11-19/h2-11,17,20H,12-16H2,1H3,(H,23,25)/t17-,20+/m0/s1
InChIKeyBYVCVVRYJBYXLS-FXAWDEMLSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3R,4R)-4-methyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[(3R,4R)-4-methyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide (CID 24793592) is N-benzyl-2-[(3R,4R)-4-methyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(3R,4R)-4-methyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(3R,4R)-4-methyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide is C[C@H]1CN(CCc2ccccc2)C(=O)[C@@H]1CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(3R,4R)-4-methyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is BYVCVVRYJBYXLS-FXAWDEMLSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-17-16-24(13-12-18-8-4-2-5-9-18)22(26)20(17)14-21(25)23-15-19-10-6-3-7-11-19/h2-11,17,20H,12-16H2,1H3,(H,23,25)/t17-,20+/m0/s1.
What are the key properties of N-benzyl-2-[(3R,4R)-4-methyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide?
N-benzyl-2-[(3R,4R)-4-methyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 350.46 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3R,4R)-4-methyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 24793592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).