2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide

C15H21N3O — CID 108992856

IUPAC2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N3O/c1-11(2)18-15(19)10-16-8-7-12-9-17-14-6-4-3-5-13(12)14/h3-6,9,11,16-17H,7-8,10H2,1-2H3,(H,18,19)
InChIKeyHFJKTNMGWWIBQI-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.82
Rot. Bonds6

About 2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide

2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide (PubChem CID 108992856) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide
PubChem CID108992856
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N3O/c1-11(2)18-15(19)10-16-8-7-12-9-17-14-6-4-3-5-13(12)14/h3-6,9,11,16-17H,7-8,10H2,1-2H3,(H,18,19)
InChIKeyHFJKTNMGWWIBQI-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877
N-tert-butyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002301
N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112993944
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
1-(azepan-1-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone
CID 109002313
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
2-[2-(1H-indol-3-yl)ethylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 109002334
N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 50955220
N-[2-(1H-indol-3-yl)ethyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 4780392
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609
N-(3,5-dichlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002406
N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109000531

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide (CID 108992856) is 2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide?
The InChIKey is HFJKTNMGWWIBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)18-15(19)10-16-8-7-12-9-17-14-6-4-3-5-13(12)14/h3-6,9,11,16-17H,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide?
2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide has a molecular weight of 259.35 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 108992856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).