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

C21H25N3O2 — CID 120610711

IUPAC3-(2-aminophenyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
SMILESCCN(C(=O)CCc1ccccc1N)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C21H25N3O2/c1-2-23(20(25)13-12-16-8-6-7-11-18(16)22)19-14-15-24(21(19)26)17-9-4-3-5-10-17/h3-11,19H,2,12-15,22H2,1H3
InChIKeyCEIYXCCMLYMVLO-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.86
Rot. Bonds6

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

3-(2-aminophenyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide (PubChem CID 120610711) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
PubChem CID120610711
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3-(2-aminophenyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
SMILESCCN(C(=O)CCc1ccccc1N)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C21H25N3O2/c1-2-23(20(25)13-12-16-8-6-7-11-18(16)22)19-14-15-24(21(19)26)17-9-4-3-5-10-17/h3-11,19H,2,12-15,22H2,1H3
InChIKeyCEIYXCCMLYMVLO-UHFFFAOYSA-N
XLogP2.86
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide;hydrochloride
CID 119323654
4-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride
CID 120562641
3-(2-aminophenyl)-N-cyclopentyl-N-ethylpropanamide
CID 43541570
N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 56804641
3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride
CID 120611677
3-(benzimidazol-1-yl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 126767257
N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[1.1.0]butane-1-carboxamide
CID 166427367
3-(2-aminophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 120610637
3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide
CID 120610765
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119319400
5-amino-N-ethyl-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 120632566
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119319399

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide (CID 120610711) is 3-(2-aminophenyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide is CCN(C(=O)CCc1ccccc1N)C1CCN(c2ccccc2)C1=O.
What is the InChIKey of 3-(2-aminophenyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide?
The InChIKey is CEIYXCCMLYMVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-2-23(20(25)13-12-16-8-6-7-11-18(16)22)19-14-15-24(21(19)26)17-9-4-3-5-10-17/h3-11,19H,2,12-15,22H2,1H3.
What are the key properties of 3-(2-aminophenyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide?
3-(2-aminophenyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide has a molecular weight of 351.45 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 120610711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).