3,4,5-Trimethoxybenzamide

C10H13NO4CAS 3086-62-2211.22 g/mol

Open in Covalent MOL file
ONH2OOO
Ether

Properties

Molecular formula
C10H13NO4
Molar mass
211.22 g/mol
Exact mass
211.0845 Da
Melting point
175–177 °C
logP
1.60Crippen estimate
Polar surface area
71.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
3086-62-2
SMILES
COc1cc(C(=N)O)cc(OC)c1OC
InChIKey
GGNMTJKRHHLJHH-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO4/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H2,11,12)

Weigh it out

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

Names and synonyms

2 names
  • Benzamide, 3,4,5-trimethoxy-
  • NSC 16947

Work with 3,4,5-Trimethoxybenzamide

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

4-Hydroxy-3,5-dimethoxybenzamide3086-72-471 % similar 3,4-Dimethoxybenzamide1521-41-166 % similar 3,5-Dimethoxybenzamide17213-58-061 % similar Eudesmic acid118-41-258 % similar 3-Amino-4-methoxybenzamide17481-27-556 % similar 2,3-Dimethoxybenzamide1521-39-753 % similar 3,4,5-Trimethoxybenzohydrazide3291-03-053 % similar 3',4',5'-Trimethoxyacetophenone1136-86-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,4-Diethoxy-2-nitrobenzene119-23-3 Methyl 6-amino-3,4-dimethoxybenzoate26759-46-6 N-Methyldopa53663-27-7 4-(Ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid5442-91-1 (±)-Methyldopa55-40-3 (±)-Methyldopa555-29-3 Methyldopa555-30-6 6-Maleimidocaproic acid55750-53-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook