N-(4-aminophenyl)-2-(4-tert-butyl-2-oxopyrrolidin-1-yl)acetamide

C16H23N3O2 — CID 104510942

IUPACN-(4-aminophenyl)-2-(4-tert-butyl-2-oxopyrrolidin-1-yl)acetamide
SMILESCC(C)(C)C1CC(=O)N(CC(=O)Nc2ccc(N)cc2)C1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)11-8-15(21)19(9-11)10-14(20)18-13-6-4-12(17)5-7-13/h4-7,11H,8-10,17H2,1-3H3,(H,18,20)
InChIKeyCUJUQSCBOUDKSK-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.10
Rot. Bonds3

About N-(4-aminophenyl)-2-(4-tert-butyl-2-oxopyrrolidin-1-yl)acetamide

N-(4-aminophenyl)-2-(4-tert-butyl-2-oxopyrrolidin-1-yl)acetamide (PubChem CID 104510942) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(4-tert-butyl-2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(4-tert-butyl-2-oxopyrrolidin-1-yl)acetamide
PubChem CID104510942
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(4-aminophenyl)-2-(4-tert-butyl-2-oxopyrrolidin-1-yl)acetamide
SMILESCC(C)(C)C1CC(=O)N(CC(=O)Nc2ccc(N)cc2)C1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)11-8-15(21)19(9-11)10-14(20)18-13-6-4-12(17)5-7-13/h4-7,11H,8-10,17H2,1-3H3,(H,18,20)
InChIKeyCUJUQSCBOUDKSK-UHFFFAOYSA-N
XLogP2.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.10
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'}

Analyze N-(4-aminophenyl)-2-(4-tert-butyl-2-oxopyrrolidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-aminophenyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide
CID 63103199
2-(5-amino-4-methyl-2-oxopiperidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 79355559
N-(4-aminophenyl)-2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetamide
CID 79936313
4-tert-butyl-1-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 104512255
N-(4-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide
CID 61430101
N-(4-fluorophenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 5307809
ethyl 4-(4-tert-butyl-2-oxopyrrolidin-1-yl)-3-oxobutanoate
CID 104512278
4-tert-butyl-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 104512277
1-[(5-amino-2-chlorophenyl)methyl]-4-tert-butylpyrrolidin-2-one
CID 104510943
3-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanehydrazide
CID 104512871
N-(4-cyanophenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide
CID 104511824
4-tert-butyl-1-[2-(2,4-difluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 104512276

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(4-tert-butyl-2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(4-aminophenyl)-2-(4-tert-butyl-2-oxopyrrolidin-1-yl)acetamide (CID 104510942) is N-(4-aminophenyl)-2-(4-tert-butyl-2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(4-tert-butyl-2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(4-tert-butyl-2-oxopyrrolidin-1-yl)acetamide is CC(C)(C)C1CC(=O)N(CC(=O)Nc2ccc(N)cc2)C1.
What is the InChIKey of N-(4-aminophenyl)-2-(4-tert-butyl-2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is CUJUQSCBOUDKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,3)11-8-15(21)19(9-11)10-14(20)18-13-6-4-12(17)5-7-13/h4-7,11H,8-10,17H2,1-3H3,(H,18,20).
What are the key properties of N-(4-aminophenyl)-2-(4-tert-butyl-2-oxopyrrolidin-1-yl)acetamide?
N-(4-aminophenyl)-2-(4-tert-butyl-2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(4-tert-butyl-2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 104510942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).