N-[2-(1,3-benzodioxol-5-yl)ethyl]acetamide

HCID 322384

Notes Reactions

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Basic information

CAS: 58026-25-8
Standard SMILES: CC(=O)NCCc1ccc2c(c1)OCO2
InChIKey: YLXWMBZTWMBKAH-UHFFFAOYSA-N
Molecular formula: C11H13NO3
Average molar mass: 207.23 g/mol
Monoisotopic mass: 207.08954328

Names & identifiers

Preferred name: N-[2-(1,3-benzodioxol-5-yl)ethyl]acetamide
IUPAC: N-[2-(1,3-benzodioxol-5-yl)ethyl]acetamide

Names & synonyms

58026-25-8N-[2-(1,3-benzodioxol-5-yl)ethyl]acetamideN-(2-(1,3-Benzodioxol-5-yl)ethyl)acetamideDTXSID70314005RefChem:360271DTXCID70265129N-[2-(2H-1,3-benzodioxol-5-yl)ethyl]acetamideNSC 279544Acetamide, N-[2-(1,3-benzodioxol-5-yl)ethyl]-NSC279544N-acetyl-homopiperonylamineSCHEMBL11744707

Show more names

YLXWMBZTWMBKAH-UHFFFAOYSA-NAKOS008046236NSC-279544DS-001803N-(2-benzo[1,3]dioxol-5-ylethyl)acetamideZ91143301

Database identifiers

CAS: 58026-25-8
PubChem CID: 322384
DTXSID: DTXSID70314005
Nikkaji: J1.662.159E

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 47.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 232

Related reactions

3 records

New reaction record

HRID 102443As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 462097As reactantuspto-grants-1977_12

HRID 1760417As productuspto-grants-2005_01

Compound notes

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