1-(3-methoxyphenyl)-2-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide

C20H22N2O3 — CID 46159169

IUPAC1-(3-methoxyphenyl)-2-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CCC(C(=O)NC(C)c3ccccc3)C2=O)c1
InChIInChI=1S/C20H22N2O3/c1-14(15-7-4-3-5-8-15)21-19(23)18-11-12-22(20(18)24)16-9-6-10-17(13-16)25-2/h3-10,13-14,18H,11-12H2,1-2H3,(H,21,23)
InChIKeyAFQYWJBLZOHQOK-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.93
Rot. Bonds5

About 1-(3-methoxyphenyl)-2-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide

1-(3-methoxyphenyl)-2-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 46159169) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID46159169
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-(3-methoxyphenyl)-2-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CCC(C(=O)NC(C)c3ccccc3)C2=O)c1
InChIInChI=1S/C20H22N2O3/c1-14(15-7-4-3-5-8-15)21-19(23)18-11-12-22(20(18)24)16-9-6-10-17(13-16)25-2/h3-10,13-14,18H,11-12H2,1-2H3,(H,21,23)
InChIKeyAFQYWJBLZOHQOK-UHFFFAOYSA-N
XLogP2.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-2-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide (CID 46159169) is 1-(3-methoxyphenyl)-2-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-2-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide is COc1cccc(N2CCC(C(=O)NC(C)c3ccccc3)C2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is AFQYWJBLZOHQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14(15-7-4-3-5-8-15)21-19(23)18-11-12-22(20(18)24)16-9-6-10-17(13-16)25-2/h3-10,13-14,18H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 1-(3-methoxyphenyl)-2-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide?
1-(3-methoxyphenyl)-2-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 46159169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).