chempirical

Itopride

C20H26N2O4CAS 122898-67-3358.44 g/mol

Open in Covalent MOL file
OOHNONO
EtherTertiary amine

Properties

Molecular formula
C20H26N2O4
Molar mass
358.44 g/mol
Exact mass
358.1893 Da
Melting point
109–110.5 °C
logP
3.15Crippen estimate
Polar surface area
63.5 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
9

Identifiers

CAS number
122898-67-3
SMILES
COc1ccc(C(O)=NCc2ccc(OCCN(C)C)cc2)cc1OC
InChIKey
QQQIECGTIMUVDS-UHFFFAOYSA-N
InChI
InChI=1S/C20H26N2O4/c1-22(2)11-12-26-17-8-5-15(6-9-17)14-21-20(23)16-7-10-18(24-3)19(13-16)25-4/h5-10,13H,11-12,14H2,1-4H3,(H,21,23)

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Names and synonyms

3 names
  • Benzamide, N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxy-
  • N-[[4-[2-(Dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxybenzamide
  • N-(4-(2-(Dimethylamino)ethoxy)benzyl)-3,4-dimethoxybenzamide

Work with Itopride

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

Itopride hydrochloride122892-31-396 % similar Trimethobenzamide hydrochloride554-92-780 % similar Veratric acid hydrazide41764-74-345 % similar 4-[2-(Dimethylamino)ethoxy]benzenemethanamine20059-73-842 % similar Tamoxifen10540-29-138 % similar 3,4-Dimethoxybenzamide1521-41-137 % similar Veratric acid93-07-237 % similar 4-Hydroxytamoxifen68047-06-336 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook