N-(2,4-dimethylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C21H24N2O2 — CID 4879485

IUPACN-(2,4-dimethylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(CCc3ccccc3)C2)c(C)c1
InChIInChI=1S/C21H24N2O2/c1-15-8-9-19(16(2)12-15)22-21(25)18-13-20(24)23(14-18)11-10-17-6-4-3-5-7-17/h3-9,12,18H,10-11,13-14H2,1-2H3,(H,22,25)
InChIKeyICBZVGJGGDCQNE-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.33
Rot. Bonds5

About N-(2,4-dimethylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

N-(2,4-dimethylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 4879485) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID4879485
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-(2,4-dimethylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(CCc3ccccc3)C2)c(C)c1
InChIInChI=1S/C21H24N2O2/c1-15-8-9-19(16(2)12-15)22-21(25)18-13-20(24)23(14-18)11-10-17-6-4-3-5-7-17/h3-9,12,18H,10-11,13-14H2,1-2H3,(H,22,25)
InChIKeyICBZVGJGGDCQNE-UHFFFAOYSA-N
XLogP3.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 4879485) is N-(2,4-dimethylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is Cc1ccc(NC(=O)C2CC(=O)N(CCc3ccccc3)C2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is ICBZVGJGGDCQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15-8-9-19(16(2)12-15)22-21(25)18-13-20(24)23(14-18)11-10-17-6-4-3-5-7-17/h3-9,12,18H,10-11,13-14H2,1-2H3,(H,22,25).
What are the key properties of N-(2,4-dimethylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-(2,4-dimethylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 4879485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).