N-[2-(4-aminophenyl)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C21H25N3O2 — CID 119548686

IUPACN-[2-(4-aminophenyl)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)NCCc2ccc(N)cc2)CC1=O
InChIInChI=1S/C21H25N3O2/c1-2-16-5-3-4-6-19(16)24-14-17(13-20(24)25)21(26)23-12-11-15-7-9-18(22)10-8-15/h3-10,17H,2,11-14,22H2,1H3,(H,23,26)
InChIKeyMGULFPSPGNXQKU-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.54
Rot. Bonds6

About N-[2-(4-aminophenyl)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(4-aminophenyl)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 119548686) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID119548686
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[2-(4-aminophenyl)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)NCCc2ccc(N)cc2)CC1=O
InChIInChI=1S/C21H25N3O2/c1-2-16-5-3-4-6-19(16)24-14-17(13-20(24)25)21(26)23-12-11-15-7-9-18(22)10-8-15/h3-10,17H,2,11-14,22H2,1H3,(H,23,26)
InChIKeyMGULFPSPGNXQKU-UHFFFAOYSA-N
XLogP2.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119549566
N-[2-(ethylamino)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119507215
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7798733
(3S)-1-(2-methylphenyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 9351066
1-(2-cyanophenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113191742
1-(2-ethylphenyl)-5-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 55688415
N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84955148
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9217109
(3S)-N-ethoxy-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30689983
N-[2-(4-aminophenyl)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 119547411
5-oxo-N-(3-phenylpropyl)-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186572
1-(2,5-dimethylphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 17151811

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 119548686) is N-[2-(4-aminophenyl)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccccc1N1CC(C(=O)NCCc2ccc(N)cc2)CC1=O.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MGULFPSPGNXQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-2-16-5-3-4-6-19(16)24-14-17(13-20(24)25)21(26)23-12-11-15-7-9-18(22)10-8-15/h3-10,17H,2,11-14,22H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(4-aminophenyl)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119548686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).