N-[2-(4-aminophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C19H21N3O2 — CID 119548405

IUPACN-[2-(4-aminophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESNc1ccc(CCNC(=O)c2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C19H21N3O2/c20-16-8-6-14(7-9-16)10-11-21-19(24)15-3-1-4-17(13-15)22-12-2-5-18(22)23/h1,3-4,6-9,13H,2,5,10-12,20H2,(H,21,24)
InChIKeyFMWRXXMERXSIFG-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.37
Rot. Bonds5

About N-[2-(4-aminophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[2-(4-aminophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 119548405) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID119548405
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[2-(4-aminophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESNc1ccc(CCNC(=O)c2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C19H21N3O2/c20-16-8-6-14(7-9-16)10-11-21-19(24)15-3-1-4-17(13-15)22-12-2-5-18(22)23/h1,3-4,6-9,13H,2,5,10-12,20H2,(H,21,24)
InChIKeyFMWRXXMERXSIFG-UHFFFAOYSA-N
XLogP2.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.37
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-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
1-[2-(4-chlorophenyl)ethyl]-3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea
CID 9153806
N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119496776
N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 3466711
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728852
N-[2-(4-aminophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 119549268
N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174646
3-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide
CID 3561777
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8726499
N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86990016
N-[2-(4-ethenylphenyl)ethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 154838852

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 119548405) is N-[2-(4-aminophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is Nc1ccc(CCNC(=O)c2cccc(N3CCCC3=O)c2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is FMWRXXMERXSIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c20-16-8-6-14(7-9-16)10-11-21-19(24)15-3-1-4-17(13-15)22-12-2-5-18(22)23/h1,3-4,6-9,13H,2,5,10-12,20H2,(H,21,24).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-(4-aminophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 323.40 g/mol, XLogP of 2.37, 5 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]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 119548405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).