N-(Diphenylmethylene)glycine ethyl ester

C17H17NO2CAS 69555-14-2267.33 g/mol

Open in Covalent MOL file
OON
EsterImine

Properties

Molecular formula
C17H17NO2
Molar mass
267.33 g/mol
Exact mass
267.1259 Da
Melting point
50–52 °C
logP
3.09Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Hazards

Not classified as hazardous under GHS by 42 ECHA notifiers. Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
69555-14-2
SMILES
CCOC(=O)CN=C(c1ccccc1)c1ccccc1
InChIKey
QUGJYNGNUBHTNS-UHFFFAOYSA-N
InChI
InChI=1S/C17H17NO2/c1-2-20-16(19)13-18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3

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Names and synonyms

10 names
  • Glycine, N-(diphenylmethylene)-, ethyl ester
  • Ethyl N-benzhydrylideneglycinate
  • Ethyl N-(diphenylmethylene)glycinate
  • Ethyl (benzhydrylideneamino)acetate
  • NSC 263808
  • (Benzhydrylideneamino)acetic acid ethyl ester
  • Ethyl 2-[(diphenylmethylene)amino]acetate
  • N-(Diphenylmethylidene)glycine ethyl ester
  • Ethyl 2-(benzhydrylideneamino)acetate
  • Ethyl 2-(diphenylmethyleneamino)acetate

Work with N-(Diphenylmethylene)glycine ethyl ester

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

Methyl N-(diphenylmethylidene)glycinate81167-39-767 % similar N-(Diphenylmethylene)glycine tert-butyl ester81477-94-362 % similar Ethyl benzoylacetate94-02-058 % similar Ethyl phenylacetate101-97-354 % similar Ethyl benzoate93-89-053 % similar Ethyl 3-phenylpropanoate2021-28-553 % similar Ethyl 2-phenoxyacetate2555-49-951 % similar Azlactone1199-01-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Benzhydrylazetidine-3-carboxylic acid36476-87-6

Elsewhere

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