3-(2-aminophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide

C19H21N3O2 — CID 120610637

IUPAC3-(2-aminophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
SMILESNc1ccccc1CCC(=O)NC1CCN(c2ccccc2)C1=O
InChIInChI=1S/C19H21N3O2/c20-16-9-5-4-6-14(16)10-11-18(23)21-17-12-13-22(19(17)24)15-7-2-1-3-8-15/h1-9,17H,10-13,20H2,(H,21,23)
InChIKeyVRIYAWKXSSDEGQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.12
Rot. Bonds5

About 3-(2-aminophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide

3-(2-aminophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide (PubChem CID 120610637) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
PubChem CID120610637
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-(2-aminophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
SMILESNc1ccccc1CCC(=O)NC1CCN(c2ccccc2)C1=O
InChIInChI=1S/C19H21N3O2/c20-16-9-5-4-6-14(16)10-11-18(23)21-17-12-13-22(19(17)24)15-7-2-1-3-8-15/h1-9,17H,10-13,20H2,(H,21,23)
InChIKeyVRIYAWKXSSDEGQ-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide
CID 120611290
3-(2-aminophenyl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]propanamide
CID 125120172
N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-thiophen-3-ylpropanamide
CID 95234437
3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 120612685
4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
CID 119781166
3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
CID 119781200
3-(2-aminophenyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 120610711
2-(4-aminophenyl)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide;hydrochloride
CID 119787581
3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612227
(3S)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide
CID 97260330
(3R)-4,4,4-trifluoro-3-hydroxy-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide
CID 97260329
3-(1,5-dimethylpyrazol-4-yl)-N-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide
CID 124576330

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide (CID 120610637) is 3-(2-aminophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide is Nc1ccccc1CCC(=O)NC1CCN(c2ccccc2)C1=O.
What is the InChIKey of 3-(2-aminophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide?
The InChIKey is VRIYAWKXSSDEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c20-16-9-5-4-6-14(16)10-11-18(23)21-17-12-13-22(19(17)24)15-7-2-1-3-8-15/h1-9,17H,10-13,20H2,(H,21,23).
What are the key properties of 3-(2-aminophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide?
3-(2-aminophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide has a molecular weight of 323.40 g/mol, XLogP of 2.12, 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-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 120610637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).