N-(3-acetamidophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H21N3O3 — CID 2963151

IUPACN-(3-acetamidophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)c1
InChIInChI=1S/C20H21N3O3/c1-13-6-8-18(9-7-13)23-12-15(10-19(23)25)20(26)22-17-5-3-4-16(11-17)21-14(2)24/h3-9,11,15H,10,12H2,1-2H3,(H,21,24)(H,22,26)
InChIKeySNNQEAKCEAKGQD-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.95
Rot. Bonds4

About N-(3-acetamidophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(3-acetamidophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2963151) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2963151
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(3-acetamidophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)c1
InChIInChI=1S/C20H21N3O3/c1-13-6-8-18(9-7-13)23-12-15(10-19(23)25)20(26)22-17-5-3-4-16(11-17)21-14(2)24/h3-9,11,15H,10,12H2,1-2H3,(H,21,24)(H,22,26)
InChIKeySNNQEAKCEAKGQD-UHFFFAOYSA-N
XLogP2.95
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 2963151) is N-(3-acetamidophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)Nc1cccc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SNNQEAKCEAKGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-6-8-18(9-7-13)23-12-15(10-19(23)25)20(26)22-17-5-3-4-16(11-17)21-14(2)24/h3-9,11,15H,10,12H2,1-2H3,(H,21,24)(H,22,26).
What are the key properties of N-(3-acetamidophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(3-acetamidophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2963151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).