3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide

C19H23N3O — CID 28713584

IUPAC3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESNc1cccc(CCC(=O)Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C19H23N3O/c20-16-5-3-4-15(14-16)6-11-19(23)21-17-7-9-18(10-8-17)22-12-1-2-13-22/h3-5,7-10,14H,1-2,6,11-13,20H2,(H,21,23)
InChIKeyPGBXRIPYSRVXEF-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.44
Rot. Bonds5

About 3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide

3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 28713584) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID28713584
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESNc1cccc(CCC(=O)Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C19H23N3O/c20-16-5-3-4-15(14-16)6-11-19(23)21-17-7-9-18(10-8-17)22-12-1-2-13-22/h3-5,7-10,14H,1-2,6,11-13,20H2,(H,21,23)
InChIKeyPGBXRIPYSRVXEF-UHFFFAOYSA-N
XLogP3.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)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

2-(3-aminophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 28712283
3-(3-aminophenyl)-N-piperidin-1-ylpropanamide
CID 83012793
3-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 43309050
2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 28712286
N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 54795255
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methylphenyl)propanamide
CID 110673093
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
4-[3-(3-aminophenyl)propanoylamino]benzenesulfonyl fluoride
CID 139270103
3-(3,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 26689927
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 3-phenylpropanoate
CID 26747020
3-(3-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 110361627
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 86944069

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 28713584) is 3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide is Nc1cccc(CCC(=O)Nc2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is PGBXRIPYSRVXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c20-16-5-3-4-15(14-16)6-11-19(23)21-17-7-9-18(10-8-17)22-12-1-2-13-22/h3-5,7-10,14H,1-2,6,11-13,20H2,(H,21,23).
What are the key properties of 3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 309.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 28713584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).