N-(4-aminophenyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide

C13H17N3O2 — CID 63103199

IUPACN-(4-aminophenyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide
SMILESCC1CC(=O)N(CC(=O)Nc2ccc(N)cc2)C1
InChIInChI=1S/C13H17N3O2/c1-9-6-13(18)16(7-9)8-12(17)15-11-4-2-10(14)3-5-11/h2-5,9H,6-8,14H2,1H3,(H,15,17)
InChIKeyOGPNXHABGPTENW-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.08
Rot. Bonds3

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

N-(4-aminophenyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide (PubChem CID 63103199) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide
PubChem CID63103199
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(4-aminophenyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide
SMILESCC1CC(=O)N(CC(=O)Nc2ccc(N)cc2)C1
InChIInChI=1S/C13H17N3O2/c1-9-6-13(18)16(7-9)8-12(17)15-11-4-2-10(14)3-5-11/h2-5,9H,6-8,14H2,1H3,(H,15,17)
InChIKeyOGPNXHABGPTENW-UHFFFAOYSA-N
XLogP1.08
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.08
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-(4-aminophenyl)-2-(4-tert-butyl-2-oxopyrrolidin-1-yl)acetamide
CID 104510942
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
N-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 16779145
N-(2-hydroxyethyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide
CID 63100713
N-(4-amino-2-methylphenyl)-3-(4-methyl-2-oxopyrrolidin-1-yl)propanamide
CID 63103700
4-methyl-1-(2-oxopropyl)pyrrolidin-2-one
CID 63100384
methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate
CID 170372389
N-(4-cyanophenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide
CID 104511824
N-(4-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide
CID 61430101
N-(4-aminophenyl)-2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetamide
CID 114512324
N-(4-fluorophenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 5307809

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(4-aminophenyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide (CID 63103199) is N-(4-aminophenyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide is CC1CC(=O)N(CC(=O)Nc2ccc(N)cc2)C1.
What is the InChIKey of N-(4-aminophenyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is OGPNXHABGPTENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-6-13(18)16(7-9)8-12(17)15-11-4-2-10(14)3-5-11/h2-5,9H,6-8,14H2,1H3,(H,15,17).
What are the key properties of N-(4-aminophenyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide?
N-(4-aminophenyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 247.30 g/mol, XLogP of 1.08, 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-methyl-2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 63103199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).