N-(4-aminophenyl)-3-indol-1-ylpropanamide

C17H17N3O — CID 43247263

IUPACN-(4-aminophenyl)-3-indol-1-ylpropanamide
SMILESNc1ccc(NC(=O)CCn2ccc3ccccc32)cc1
InChIInChI=1S/C17H17N3O/c18-14-5-7-15(8-6-14)19-17(21)10-12-20-11-9-13-3-1-2-4-16(13)20/h1-9,11H,10,12,18H2,(H,19,21)
InChIKeyFXIDOWFLBQSFID-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.25
Rot. Bonds4

About N-(4-aminophenyl)-3-indol-1-ylpropanamide

N-(4-aminophenyl)-3-indol-1-ylpropanamide (PubChem CID 43247263) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-indol-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-indol-1-ylpropanamide
PubChem CID43247263
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(4-aminophenyl)-3-indol-1-ylpropanamide
SMILESNc1ccc(NC(=O)CCn2ccc3ccccc32)cc1
InChIInChI=1S/C17H17N3O/c18-14-5-7-15(8-6-14)19-17(21)10-12-20-11-9-13-3-1-2-4-16(13)20/h1-9,11H,10,12,18H2,(H,19,21)
InChIKeyFXIDOWFLBQSFID-UHFFFAOYSA-N
XLogP3.25
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-3-indol-1-ylpropanamide 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

3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 42392939
N-(4-imidazol-1-ylphenyl)-3-indol-1-ylpropanamide
CID 37193450
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
N-(5-bromonaphthalen-2-yl)-3-indol-1-ylpropanamide
CID 146022047
3-indol-1-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 27702119
N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16781831
N-(2,3-dichlorophenyl)-3-indol-1-ylpropanamide
CID 84554858
N-(2,4-difluorophenyl)-3-indol-1-ylpropanamide
CID 9209396
N'-[2-(1-adamantyl)acetyl]-3-indol-1-ylpropanehydrazide
CID 18107729
N-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide
CID 43134811
3-indol-1-yl-N-(2-methylsulfonylethylsulfonyl)propanamide
CID 75386486

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-indol-1-ylpropanamide?
The IUPAC name of N-(4-aminophenyl)-3-indol-1-ylpropanamide (CID 43247263) is N-(4-aminophenyl)-3-indol-1-ylpropanamide.
What is the SMILES notation for N-(4-aminophenyl)-3-indol-1-ylpropanamide?
The canonical SMILES for N-(4-aminophenyl)-3-indol-1-ylpropanamide is Nc1ccc(NC(=O)CCn2ccc3ccccc32)cc1.
What is the InChIKey of N-(4-aminophenyl)-3-indol-1-ylpropanamide?
The InChIKey is FXIDOWFLBQSFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-14-5-7-15(8-6-14)19-17(21)10-12-20-11-9-13-3-1-2-4-16(13)20/h1-9,11H,10,12,18H2,(H,19,21).
What are the key properties of N-(4-aminophenyl)-3-indol-1-ylpropanamide?
N-(4-aminophenyl)-3-indol-1-ylpropanamide has a molecular weight of 279.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-indol-1-ylpropanamide is sourced from PubChem (CID 43247263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).