N-(1H-indol-5-yl)-4-(propan-2-ylamino)butanamide

C15H21N3O — CID 61249519

IUPACN-(1H-indol-5-yl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C15H21N3O/c1-11(2)16-8-3-4-15(19)18-13-5-6-14-12(10-13)7-9-17-14/h5-7,9-11,16-17H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyJDAZAFFGDCYPDW-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.88
Rot. Bonds6

About N-(1H-indol-5-yl)-4-(propan-2-ylamino)butanamide

N-(1H-indol-5-yl)-4-(propan-2-ylamino)butanamide (PubChem CID 61249519) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-4-(propan-2-ylamino)butanamide
PubChem CID61249519
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(1H-indol-5-yl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C15H21N3O/c1-11(2)16-8-3-4-15(19)18-13-5-6-14-12(10-13)7-9-17-14/h5-7,9-11,16-17H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyJDAZAFFGDCYPDW-UHFFFAOYSA-N
XLogP2.88
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(1H-indol-5-yl)-4-(propan-2-ylamino)butanamide 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

4-(1H-indol-5-ylamino)-4-oxobutanoic acid
CID 54867490
N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide
CID 60850102
N-(1H-indol-5-yl)-6-(pyrimidin-2-ylamino)hexanamide
CID 71707606
N-(3-bromo-4-methylphenyl)-4-(propan-2-ylamino)butanamide
CID 63334817
N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide
CID 60849517
N'-(3-carbamoylphenyl)-N-(1H-indol-5-yl)butanediamide
CID 59103523
2-(diethylsulfamoyl)-N-(1H-indol-5-yl)acetamide
CID 71984625
3-(1H-indol-5-ylamino)-2-methyl-3-oxopropanoic acid
CID 114898152
N-(4-methylsulfanylphenyl)-4-(propan-2-ylamino)butanamide
CID 60851275
4-(1H-indol-5-ylamino)butanoic acid
CID 82539531
2-chloro-N-methyl-5-[4-(propan-2-ylamino)butanoylamino]benzamide
CID 60928255
2-(4-hydroxyphenyl)-N-(1H-indol-5-yl)acetamide
CID 110472843

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(1H-indol-5-yl)-4-(propan-2-ylamino)butanamide (CID 61249519) is N-(1H-indol-5-yl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(1H-indol-5-yl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(1H-indol-5-yl)-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of N-(1H-indol-5-yl)-4-(propan-2-ylamino)butanamide?
The InChIKey is JDAZAFFGDCYPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)16-8-3-4-15(19)18-13-5-6-14-12(10-13)7-9-17-14/h5-7,9-11,16-17H,3-4,8H2,1-2H3,(H,18,19).
What are the key properties of N-(1H-indol-5-yl)-4-(propan-2-ylamino)butanamide?
N-(1H-indol-5-yl)-4-(propan-2-ylamino)butanamide has a molecular weight of 259.35 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 61249519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).