N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C20H23N3O2 — CID 119422849

IUPACN-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccc(N2CCC(C(=O)Nc3ccccc3N)C2=O)cc1
InChIInChI=1S/C20H23N3O2/c1-13(2)14-7-9-15(10-8-14)23-12-11-16(20(23)25)19(24)22-18-6-4-3-5-17(18)21/h3-10,13,16H,11-12,21H2,1-2H3,(H,22,24)
InChIKeyRZILWLGMNNHHFC-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.38
Rot. Bonds4

About N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 119422849) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID119422849
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccc(N2CCC(C(=O)Nc3ccccc3N)C2=O)cc1
InChIInChI=1S/C20H23N3O2/c1-13(2)14-7-9-15(10-8-14)23-12-11-16(20(23)25)19(24)22-18-6-4-3-5-17(18)21/h3-10,13,16H,11-12,21H2,1-2H3,(H,22,24)
InChIKeyRZILWLGMNNHHFC-UHFFFAOYSA-N
XLogP3.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 119422849) is N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(C)c1ccc(N2CCC(C(=O)Nc3ccccc3N)C2=O)cc1.
What is the InChIKey of N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is RZILWLGMNNHHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13(2)14-7-9-15(10-8-14)23-12-11-16(20(23)25)19(24)22-18-6-4-3-5-17(18)21/h3-10,13,16H,11-12,21H2,1-2H3,(H,22,24).
What are the key properties of N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 119422849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).