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

C26H34N2O2 — CID 24793524

IUPACN-benzyl-2-[(3R,4R)-2-oxo-4-pentyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide
SMILESCCCCC[C@H]1CN(CCc2ccccc2)C(=O)[C@@H]1CC(=O)NCc1ccccc1
InChIInChI=1S/C26H34N2O2/c1-2-3-6-15-23-20-28(17-16-21-11-7-4-8-12-21)26(30)24(23)18-25(29)27-19-22-13-9-5-10-14-22/h4-5,7-14,23-24H,2-3,6,15-20H2,1H3,(H,27,29)/t23-,24+/m0/s1
InChIKeyBUTMYFNOCBMEJZ-BJKOFHAPSA-N
MW406.57 g/mol
LogP4.59
Rot. Bonds11

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

N-benzyl-2-[(3R,4R)-2-oxo-4-pentyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide (PubChem CID 24793524) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-benzyl-2-[(3R,4R)-2-oxo-4-pentyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3R,4R)-2-oxo-4-pentyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide
PubChem CID24793524
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC NameN-benzyl-2-[(3R,4R)-2-oxo-4-pentyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide
SMILESCCCCC[C@H]1CN(CCc2ccccc2)C(=O)[C@@H]1CC(=O)NCc1ccccc1
InChIInChI=1S/C26H34N2O2/c1-2-3-6-15-23-20-28(17-16-21-11-7-4-8-12-21)26(30)24(23)18-25(29)27-19-22-13-9-5-10-14-22/h4-5,7-14,23-24H,2-3,6,15-20H2,1H3,(H,27,29)/t23-,24+/m0/s1
InChIKeyBUTMYFNOCBMEJZ-BJKOFHAPSA-N
XLogP4.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.59
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)-2-oxo-4-pentyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[(3R,4R)-2-oxo-4-pentyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide (CID 24793524) is N-benzyl-2-[(3R,4R)-2-oxo-4-pentyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(3R,4R)-2-oxo-4-pentyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(3R,4R)-2-oxo-4-pentyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide is CCCCC[C@H]1CN(CCc2ccccc2)C(=O)[C@@H]1CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(3R,4R)-2-oxo-4-pentyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is BUTMYFNOCBMEJZ-BJKOFHAPSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-2-3-6-15-23-20-28(17-16-21-11-7-4-8-12-21)26(30)24(23)18-25(29)27-19-22-13-9-5-10-14-22/h4-5,7-14,23-24H,2-3,6,15-20H2,1H3,(H,27,29)/t23-,24+/m0/s1.
What are the key properties of N-benzyl-2-[(3R,4R)-2-oxo-4-pentyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide?
N-benzyl-2-[(3R,4R)-2-oxo-4-pentyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 406.57 g/mol, XLogP of 4.59, 11 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)-2-oxo-4-pentyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 24793524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).