N-1,3-Benzodioxol-5-ylacetamide

C9H9NO3CAS 13067-19-1179.17 g/mol

Open in Covalent MOL file
OHNOO
AcetalEther

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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

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

9 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
  • N-(2H-1,3-Benzodioxol-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

Similar compounds

N-(3-Amino-4-methoxyphenyl)acetamide6375-47-954 % similar N,N'-Diacetyl-p-phenylenediamine140-50-153 % similar N-[3-(Diethylamino)-4-methoxyphenyl]acetamide19433-93-350 % similar N-(3,4-Dimethylphenyl)acetamide2198-54-150 % similar Phenacetin62-44-250 % similar Ethopabate59-06-349 % similar N-[3-[Bis(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide24530-67-448 % similar 3,4-Methylenedioxyphenyl isothiocyanate113504-93-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 2-acetylpyridine-4-carboxylate138715-82-9 (4-(Hydroxyimino)methyl)-2-methylbenzoic acid1437051-93-8 3-(4-Nitrophenyl)-2-propen-1-ol1504-63-8 3′-Nitropropiophenone17408-16-1 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-3-(2-nitrovinyl)benzene3179-09-7 1-Methoxy-4-(2-nitroethenyl)benzene3179-10-0

Elsewhere

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