3-(2-aminophenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)propanamide

C22H27N3O2 — CID 120610126

IUPAC3-(2-aminophenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)propanamide
SMILESNc1ccccc1CCC(=O)NC(Cc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C22H27N3O2/c23-19-11-5-4-10-18(19)12-13-21(26)24-20(16-17-8-2-1-3-9-17)22(27)25-14-6-7-15-25/h1-5,8-11,20H,6-7,12-16,23H2,(H,24,26)
InChIKeyDPKZQINTPVLFTD-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.55
Rot. Bonds7

About 3-(2-aminophenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)propanamide

3-(2-aminophenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)propanamide (PubChem CID 120610126) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)propanamide
PubChem CID120610126
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3-(2-aminophenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)propanamide
SMILESNc1ccccc1CCC(=O)NC(Cc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C22H27N3O2/c23-19-11-5-4-10-18(19)12-13-21(26)24-20(16-17-8-2-1-3-9-17)22(27)25-14-6-7-15-25/h1-5,8-11,20H,6-7,12-16,23H2,(H,24,26)
InChIKeyDPKZQINTPVLFTD-UHFFFAOYSA-N
XLogP2.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.55
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-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-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

N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-3-phenylpropanamide
CID 110347374
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
2-amino-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 119310977
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide
CID 110347349
2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethyl-3-phenylpropanamide;hydrochloride
CID 120610630
N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide
CID 110351597
5-(4-methylphenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pentanamide
CID 60611406
3-(2-methoxyethoxy)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide
CID 95288338
2-(cyclopropylmethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride
CID 119762010
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-2-phenoxyacetamide
CID 110347375
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide
CID 110351358
(Z)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]octadec-9-enamide
CID 14500780

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)propanamide (CID 120610126) is 3-(2-aminophenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)propanamide is Nc1ccccc1CCC(=O)NC(Cc1ccccc1)C(=O)N1CCCC1.
What is the InChIKey of 3-(2-aminophenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)propanamide?
The InChIKey is DPKZQINTPVLFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c23-19-11-5-4-10-18(19)12-13-21(26)24-20(16-17-8-2-1-3-9-17)22(27)25-14-6-7-15-25/h1-5,8-11,20H,6-7,12-16,23H2,(H,24,26).
What are the key properties of 3-(2-aminophenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)propanamide?
3-(2-aminophenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)propanamide has a molecular weight of 365.48 g/mol, XLogP of 2.55, 7 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-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)propanamide is sourced from PubChem (CID 120610126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).