N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide

C19H23N3O — CID 109033848

IUPACN-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
SMILESO=C(CCNc1ccc(N2CCCC2)cc1)Nc1ccccc1
InChIInChI=1S/C19H23N3O/c23-19(21-17-6-2-1-3-7-17)12-13-20-16-8-10-18(11-9-16)22-14-4-5-15-22/h1-3,6-11,20H,4-5,12-15H2,(H,21,23)
InChIKeyKJHFQEODJWFDHC-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.73
Rot. Bonds6

About N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide

N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide (PubChem CID 109033848) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide.

Molecular Properties

Compound NameN-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
PubChem CID109033848
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
SMILESO=C(CCNc1ccc(N2CCCC2)cc1)Nc1ccccc1
InChIInChI=1S/C19H23N3O/c23-19(21-17-6-2-1-3-7-17)12-13-20-16-8-10-18(11-9-16)22-14-4-5-15-22/h1-3,6-11,20H,4-5,12-15H2,(H,21,23)
InChIKeyKJHFQEODJWFDHC-UHFFFAOYSA-N
XLogP3.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-phenyl-3-(4-pyrrolidin-1-ylanilino)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-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037669
3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041778
N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037829
3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109034292
N-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041798
methyl 4-[3-(4-pyrrolidin-1-ylanilino)propanoylamino]benzoate
CID 109041473
3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109019030
methyl 4-[[3-oxo-3-(4-piperidin-1-ylanilino)propyl]amino]benzoate
CID 109041517
3-(3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041774

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide?
The IUPAC name of N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide (CID 109033848) is N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide.
What is the SMILES notation for N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide?
The canonical SMILES for N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide is O=C(CCNc1ccc(N2CCCC2)cc1)Nc1ccccc1.
What is the InChIKey of N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide?
The InChIKey is KJHFQEODJWFDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(21-17-6-2-1-3-7-17)12-13-20-16-8-10-18(11-9-16)22-14-4-5-15-22/h1-3,6-11,20H,4-5,12-15H2,(H,21,23).
What are the key properties of N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide?
N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide has a molecular weight of 309.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide is sourced from PubChem (CID 109033848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).