N-1,3-Benzodioxol-5-ylacetamide

C₉H₉NO₃CAS 13067-19-1179.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₉NO₃
Molar mass: 179.17 g/mol
Exact mass: 179.0582 Da
Melting point: 135–136 °C
logP: 2.02Crippen estimate
Polar surface area: 51.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

13067-19-1

SMILES

CC(O)=Nc1ccc2c(c1)OCO2

InChIKey

CGLCDOZYDURWIG-UHFFFAOYSA-N

InChI

InChI=1S/C9H9NO3/c1-6(11)10-7-2-3-8-9(4-7)13-5-12-8/h2-4H,5H2,1H3,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

Acetamide, N-1,3-benzodioxol-5-yl-
Acetanilide, 3′,4′-(methylenedioxy)-
N-(1,3-Benzodioxol-5-yl)acetamide
1-Acetamido-3,4-(methylenedioxy)benzene
3′,4′-(Methylenedioxy)acetanilide
3,4-Methylenedioxyacetanilide
NSC 159113
N-(Benzo[d][1,3]dioxol-5-yl)acetamide

Work with N-1,3-Benzodioxol-5-ylacetamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

3-(4-Nitrophenyl)-2-propen-1-ol1504-63-8 1-(3-Nitrophenyl)-1-propanone17408-16-1 3A,4,7,7A-Tetrahydro-2-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione21715-90-2 1-(6-Amino-1,3-benzodioxol-5-yl)ethanone28657-75-2 1-Methoxy-4-(2-nitroethenyl)benzene3179-10-0 2-Methoxy-β-nitrostyrene3316-24-3 5-Acetyl-2-hydroxybenzamide40187-51-7 Hippuric acid495-69-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook