N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]acetamide

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Basic information

CAS: 79426-44-1
Standard SMILES: CC(=O)NCCC1CNc2ccccc21
InChIKey: LGWUGAXPKZWKCB-UHFFFAOYSA-N
Molecular formula: C12H16N2O
Average molar mass: 204.27 g/mol
Monoisotopic mass: 204.12626314

Names & identifiers

Preferred name: N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]acetamide
IUPAC: N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]acetamide

Names & synonyms

N-(2-(Indolin-3-yl)ethyl)acetamide79426-44-1N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]acetamideNSC695367N-(2-(2,3-Dihydro-1H-indol-3-yl)ethyl)acetamideCHEMBL1994119SCHEMBL19520637DTXSID90327854N-(2-indolin-3-ylethyl)acetamideAKOS000191041NSC-695367NCI60_034145

Database identifiers

CAS: 79426-44-1
PubChem CID: 393459
DTXSID: DTXSID90327854
ChEMBL: CHEMBL1994119
Nikkaji: J406.807F

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 230

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Compound notes

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