3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide

C21H23N3O — CID 42392939

IUPAC3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCn1ccc2ccccc21)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C21H23N3O/c25-21(12-16-24-15-11-17-5-1-2-6-20(17)24)22-18-7-9-19(10-8-18)23-13-3-4-14-23/h1-2,5-11,15H,3-4,12-14,16H2,(H,22,25)
InChIKeyICJALPWBJMMFNQ-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.27
Rot. Bonds5

About 3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide

3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 42392939) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID42392939
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCn1ccc2ccccc21)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C21H23N3O/c25-21(12-16-24-15-11-17-5-1-2-6-20(17)24)22-18-7-9-19(10-8-18)23-13-3-4-14-23/h1-2,5-11,15H,3-4,12-14,16H2,(H,22,25)
InChIKeyICJALPWBJMMFNQ-UHFFFAOYSA-N
XLogP4.27
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 43701399
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CID 84553216
N-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide
CID 87038105
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-indol-1-ylacetamide
CID 53367825
N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
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3-indol-1-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 27702119
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-(azepan-1-yl)phenyl]butanamide
CID 60593025
N-(2,3-dichlorophenyl)-3-indol-1-ylpropanamide
CID 84554858
3-indol-1-yl-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9257089
ethyl (E)-3-[4-(3-indol-1-ylpropanoylamino)phenyl]prop-2-enoate
CID 27054675

Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 42392939) is 3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide is O=C(CCn1ccc2ccccc21)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is ICJALPWBJMMFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c25-21(12-16-24-15-11-17-5-1-2-6-20(17)24)22-18-7-9-19(10-8-18)23-13-3-4-14-23/h1-2,5-11,15H,3-4,12-14,16H2,(H,22,25).
What are the key properties of 3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide?
3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 333.44 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 42392939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).