3-(2-aminophenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide

C20H23N3O2 — CID 120611290

IUPAC3-(2-aminophenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide
SMILESCc1ccc(N2CCC(NC(=O)CCc3ccccc3N)C2=O)cc1
InChIInChI=1S/C20H23N3O2/c1-14-6-9-16(10-7-14)23-13-12-18(20(23)25)22-19(24)11-8-15-4-2-3-5-17(15)21/h2-7,9-10,18H,8,11-13,21H2,1H3,(H,22,24)
InChIKeyDDUUVBDUTOGLAG-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.43
Rot. Bonds5

About 3-(2-aminophenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide

3-(2-aminophenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide (PubChem CID 120611290) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide
PubChem CID120611290
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-(2-aminophenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide
SMILESCc1ccc(N2CCC(NC(=O)CCc3ccccc3N)C2=O)cc1
InChIInChI=1S/C20H23N3O2/c1-14-6-9-16(10-7-14)23-13-12-18(20(23)25)22-19(24)11-8-15-4-2-3-5-17(15)21/h2-7,9-10,18H,8,11-13,21H2,1H3,(H,22,24)
InChIKeyDDUUVBDUTOGLAG-UHFFFAOYSA-N
XLogP2.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(2-aminophenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide 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

3-(2-aminophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 120610637
3-(1,5-dimethylpyrazol-4-yl)-N-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide
CID 124576330
7-amino-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119802718
3-(2-aminophenyl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]propanamide
CID 125120172
2-amino-2-(4-methylphenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 120668837
2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride
CID 119336545
4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
CID 119781166
(2S)-2-amino-3,3-dimethyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]butanamide;hydrochloride
CID 119802744
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyphenyl)acetamide
CID 71839005
4-(methylamino)-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]butanamide;hydrochloride
CID 119806345
N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-thiophen-3-ylpropanamide
CID 95234437
1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
CID 167807431

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide (CID 120611290) is 3-(2-aminophenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide is Cc1ccc(N2CCC(NC(=O)CCc3ccccc3N)C2=O)cc1.
What is the InChIKey of 3-(2-aminophenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide?
The InChIKey is DDUUVBDUTOGLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-6-9-16(10-7-14)23-13-12-18(20(23)25)22-19(24)11-8-15-4-2-3-5-17(15)21/h2-7,9-10,18H,8,11-13,21H2,1H3,(H,22,24).
What are the key properties of 3-(2-aminophenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide?
3-(2-aminophenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide has a molecular weight of 337.42 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide is sourced from PubChem (CID 120611290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).