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

C20H25N3O — CID 109019030

IUPAC3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCNCc1ccccc1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H25N3O/c24-20(12-13-21-16-17-6-2-1-3-7-17)22-18-8-10-19(11-9-18)23-14-4-5-15-23/h1-3,6-11,21H,4-5,12-16H2,(H,22,24)
InChIKeyUXFFCYFTJXCNIP-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.41
Rot. Bonds7

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

3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 109019030) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID109019030
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCNCc1ccccc1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H25N3O/c24-20(12-13-21-16-17-6-2-1-3-7-17)22-18-8-10-19(11-9-18)23-14-4-5-15-23/h1-3,6-11,21H,4-5,12-16H2,(H,22,24)
InChIKeyUXFFCYFTJXCNIP-UHFFFAOYSA-N
XLogP3.41
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.41
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109020960
N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109033848
3-[(2-fluorophenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 109020961
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
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
3-(butylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109012504
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-phenylpropylamino)propanamide
CID 109030984
2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922450
3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 43701399
3-[acetyl(2-phenylethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113120869

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 109019030) is 3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide is O=C(CCNCc1ccccc1)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is UXFFCYFTJXCNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c24-20(12-13-21-16-17-6-2-1-3-7-17)22-18-8-10-19(11-9-18)23-14-4-5-15-23/h1-3,6-11,21H,4-5,12-16H2,(H,22,24).
What are the key properties of 3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 323.44 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 109019030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).