N-(2-(1H-Indol-3-yl)ethyl)benzeneacetamide
Basic information
- CAS
19462-24-9- Standard SMILES
O=C(Cc1ccccc1)NCCc1c[nH]c2ccccc12- InChIKey
XZYZQTZEHRPSAV-UHFFFAOYSA-N- Molecular formula
- C18H18N2O
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.1419132
Names & identifiers
- Preferred name
- N-(2-(1H-Indol-3-yl)ethyl)benzeneacetamide
- IUPAC
- N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide
- English name
- Benzeneacetamide, N-(2-(3-indolyl)ethyl)-
- Molecular formula
- C18H18N2O
- Molecular weight
- 278.35
Names & synonyms
19462-24-9Benzeneacetamide, N-(2-(3-indolyl)ethyl)-DTXSID00173102RefChem:1090912DTXCID5095593N-(2-(1H-Indol-3-yl)ethyl)benzeneacetamideN-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamideN-(2-(1H-Indol-3-yl)ethyl)-2-phenylacetamideBRN 0260849N-(2-(3-Indolyl)ethyl)benzeneacetamideN-phenylacetyltryptamineChemDiv3_002748
Show more names
N-[2-(1H-Indol-3-yl)ethyl]benzeneacetamideN - (2- (3-indolyl) ethyl) phenylacetamideBenzeneacetamide, N-[2-(1H-indol-3-yl)ethyl]-
Oprea1_482956Oprea1_5559894-22-00-04334 (Beilstein Handbook Reference)SCHEMBL9118459CHEMBL1625811HMS1480M20AKOS001300776NCGC00245348-01
Database identifiers
- CAS
19462-24-9- PubChem CID
- 209209
- DTXSID
DTXSID00173102- ChEMBL
CHEMBL1625811
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Melting point
- 142 · 142-143.5 °C
- Boiling point
- 572.4 · 572.4±43.0 °C(Predicted)
- Density
- 1.187 · 1.187±0.06 g/cm3(Predicted)
- pka
- 16.36 · 16.36±0.46(Predicted)
- EWG's Food Scores
- 1 · 1
- Comptox DTXSID
- 173102 · DTXSID00173102
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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