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

C19H27N3O — CID 84556804

IUPAC3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide
SMILESO=C(CCn1ccc2ccccc21)NCCCCN1CCCC1
InChIInChI=1S/C19H27N3O/c23-19(20-11-3-4-12-21-13-5-6-14-21)10-16-22-15-9-17-7-1-2-8-18(17)22/h1-2,7-9,15H,3-6,10-14,16H2,(H,20,23)
InChIKeyUYIAVEUVHHIBQR-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.02
Rot. Bonds8

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

3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide (PubChem CID 84556804) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide.

Molecular Properties

Compound Name3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide
PubChem CID84556804
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide
SMILESO=C(CCn1ccc2ccccc21)NCCCCN1CCCC1
InChIInChI=1S/C19H27N3O/c23-19(20-11-3-4-12-21-13-5-6-14-21)10-16-22-15-9-17-7-1-2-8-18(17)22/h1-2,7-9,15H,3-6,10-14,16H2,(H,20,23)
InChIKeyUYIAVEUVHHIBQR-UHFFFAOYSA-N
XLogP3.02
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea
CID 112806234
N-(3-hydroxybutyl)-3-indol-1-ylpropanamide
CID 111429170
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(3-indol-1-ylpropyl)propanamide
CID 24554014
N-[3-[benzyl(methyl)amino]propyl]-3-indol-1-ylpropanamide
CID 18118692
N-[2-(diethylamino)ethyl]-3-indol-1-ylpropanamide
CID 84556794
3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114637
N-[2-(furan-2-yl)ethyl]-3-indol-1-ylpropanamide
CID 18111353
3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 42392939
2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 122174616
4-(cyclohexylcarbamoylamino)-N-(3-indol-1-ylpropyl)butanamide
CID 16614939
3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide
CID 108750509
N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide
CID 24554706

Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide?
The IUPAC name of 3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide (CID 84556804) is 3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide.
What is the SMILES notation for 3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide?
The canonical SMILES for 3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide is O=C(CCn1ccc2ccccc21)NCCCCN1CCCC1.
What is the InChIKey of 3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide?
The InChIKey is UYIAVEUVHHIBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c23-19(20-11-3-4-12-21-13-5-6-14-21)10-16-22-15-9-17-7-1-2-8-18(17)22/h1-2,7-9,15H,3-6,10-14,16H2,(H,20,23).
What are the key properties of 3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide?
3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide has a molecular weight of 313.44 g/mol, XLogP of 3.02, 8 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-ylbutyl)propanamide is sourced from PubChem (CID 84556804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).