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

C23H28N2O2 — CID 24789359

IUPAC2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide
SMILESCCCCN1C[C@H](Cc2ccccc2)[C@@H](CC(=O)Nc2ccccc2)C1=O
InChIInChI=1S/C23H28N2O2/c1-2-3-14-25-17-19(15-18-10-6-4-7-11-18)21(23(25)27)16-22(26)24-20-12-8-5-9-13-20/h4-13,19,21H,2-3,14-17H2,1H3,(H,24,26)/t19-,21+/m0/s1
InChIKeyRWKITZCZCBHVJW-PZJWPPBQSA-N
MW364.49 g/mol
LogP4.13
Rot. Bonds8

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

2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide (PubChem CID 24789359) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide
PubChem CID24789359
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide
SMILESCCCCN1C[C@H](Cc2ccccc2)[C@@H](CC(=O)Nc2ccccc2)C1=O
InChIInChI=1S/C23H28N2O2/c1-2-3-14-25-17-19(15-18-10-6-4-7-11-18)21(23(25)27)16-22(26)24-20-12-8-5-9-13-20/h4-13,19,21H,2-3,14-17H2,1H3,(H,24,26)/t19-,21+/m0/s1
InChIKeyRWKITZCZCBHVJW-PZJWPPBQSA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.13
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-1-butyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide (CID 24789359) is 2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide is CCCCN1C[C@H](Cc2ccccc2)[C@@H](CC(=O)Nc2ccccc2)C1=O.
What is the InChIKey of 2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
The InChIKey is RWKITZCZCBHVJW-PZJWPPBQSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-2-3-14-25-17-19(15-18-10-6-4-7-11-18)21(23(25)27)16-22(26)24-20-12-8-5-9-13-20/h4-13,19,21H,2-3,14-17H2,1H3,(H,24,26)/t19-,21+/m0/s1.
What are the key properties of 2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
2-[(3R,4R)-4-benzyl-1-butyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide has a molecular weight of 364.49 g/mol, XLogP of 4.13, 8 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-1-butyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide is sourced from PubChem (CID 24789359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).