N-(2-methoxy-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C21H24N2O3 — CID 4883651

IUPACN-(2-methoxy-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C21H24N2O3/c1-15-8-9-19(26-2)18(12-15)22-21(25)17-13-20(24)23(14-17)11-10-16-6-4-3-5-7-16/h3-9,12,17H,10-11,13-14H2,1-2H3,(H,22,25)
InChIKeyZMZRRBPJGZLNLI-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.03
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

N-(2-methoxy-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 4883651) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID4883651
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(2-methoxy-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C21H24N2O3/c1-15-8-9-19(26-2)18(12-15)22-21(25)17-13-20(24)23(14-17)11-10-16-6-4-3-5-7-16/h3-9,12,17H,10-11,13-14H2,1-2H3,(H,22,25)
InChIKeyZMZRRBPJGZLNLI-UHFFFAOYSA-N
XLogP3.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 4883651) is N-(2-methoxy-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is COc1ccc(C)cc1NC(=O)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is ZMZRRBPJGZLNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-8-9-19(26-2)18(12-15)22-21(25)17-13-20(24)23(14-17)11-10-16-6-4-3-5-7-16/h3-9,12,17H,10-11,13-14H2,1-2H3,(H,22,25).
What are the key properties of N-(2-methoxy-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-(2-methoxy-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 4883651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).