3-(2-methoxyphenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide

C21H22N2O3 — CID 72689582

IUPAC3-(2-methoxyphenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide
SMILESCOc1ccccc1C(C)=CC(=O)NC1CCN(c2ccccc2)C1=O
InChIInChI=1S/C21H22N2O3/c1-15(17-10-6-7-11-19(17)26-2)14-20(24)22-18-12-13-23(21(18)25)16-8-4-3-5-9-16/h3-11,14,18H,12-13H2,1-2H3,(H,22,24)
InChIKeyHOPIATQZBZHCEO-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.02
Rot. Bonds5

About 3-(2-methoxyphenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide

3-(2-methoxyphenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide (PubChem CID 72689582) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide
PubChem CID72689582
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name3-(2-methoxyphenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide
SMILESCOc1ccccc1C(C)=CC(=O)NC1CCN(c2ccccc2)C1=O
InChIInChI=1S/C21H22N2O3/c1-15(17-10-6-7-11-19(17)26-2)14-20(24)22-18-12-13-23(21(18)25)16-8-4-3-5-9-16/h3-11,14,18H,12-13H2,1-2H3,(H,22,24)
InChIKeyHOPIATQZBZHCEO-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide (CID 72689582) is 3-(2-methoxyphenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide is COc1ccccc1C(C)=CC(=O)NC1CCN(c2ccccc2)C1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide?
The InChIKey is HOPIATQZBZHCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15(17-10-6-7-11-19(17)26-2)14-20(24)22-18-12-13-23(21(18)25)16-8-4-3-5-9-16/h3-11,14,18H,12-13H2,1-2H3,(H,22,24).
What are the key properties of 3-(2-methoxyphenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide?
3-(2-methoxyphenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide has a molecular weight of 350.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide is sourced from PubChem (CID 72689582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).