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

C25H32N2O2 — CID 24789361

IUPACN-benzyl-2-[(3R,4R)-1-benzyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide
SMILESCCCCC[C@H]1CN(Cc2ccccc2)C(=O)[C@@H]1CC(=O)NCc1ccccc1
InChIInChI=1S/C25H32N2O2/c1-2-3-6-15-22-19-27(18-21-13-9-5-10-14-21)25(29)23(22)16-24(28)26-17-20-11-7-4-8-12-20/h4-5,7-14,22-23H,2-3,6,15-19H2,1H3,(H,26,28)/t22-,23+/m0/s1
InChIKeyRVWOBVSTCYLIMN-XZOQPEGZSA-N
MW392.54 g/mol
LogP4.55
Rot. Bonds10

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

N-benzyl-2-[(3R,4R)-1-benzyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide (PubChem CID 24789361) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-benzyl-2-[(3R,4R)-1-benzyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3R,4R)-1-benzyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide
PubChem CID24789361
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-benzyl-2-[(3R,4R)-1-benzyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide
SMILESCCCCC[C@H]1CN(Cc2ccccc2)C(=O)[C@@H]1CC(=O)NCc1ccccc1
InChIInChI=1S/C25H32N2O2/c1-2-3-6-15-22-19-27(18-21-13-9-5-10-14-21)25(29)23(22)16-24(28)26-17-20-11-7-4-8-12-20/h4-5,7-14,22-23H,2-3,6,15-19H2,1H3,(H,26,28)/t22-,23+/m0/s1
InChIKeyRVWOBVSTCYLIMN-XZOQPEGZSA-N
XLogP4.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3R,4R)-1-benzyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[(3R,4R)-1-benzyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide (CID 24789361) is N-benzyl-2-[(3R,4R)-1-benzyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(3R,4R)-1-benzyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(3R,4R)-1-benzyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide is CCCCC[C@H]1CN(Cc2ccccc2)C(=O)[C@@H]1CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(3R,4R)-1-benzyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide?
The InChIKey is RVWOBVSTCYLIMN-XZOQPEGZSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-2-3-6-15-22-19-27(18-21-13-9-5-10-14-21)25(29)23(22)16-24(28)26-17-20-11-7-4-8-12-20/h4-5,7-14,22-23H,2-3,6,15-19H2,1H3,(H,26,28)/t22-,23+/m0/s1.
What are the key properties of N-benzyl-2-[(3R,4R)-1-benzyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide?
N-benzyl-2-[(3R,4R)-1-benzyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide has a molecular weight of 392.54 g/mol, XLogP of 4.55, 10 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)-1-benzyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 24789361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).