(3R,4S)-1-Benzoyl-3-(1-ethoxyethoxy)-4-phenyl-2-azetidinone

C₂₀H₂₁NO₄CAS 201856-53-3339.39 g/mol

Open in Covalent MOL file

Acetal Amide Ether Lactam

Properties

Molecular formula: C₂₀H₂₁NO₄
Molar mass: 339.39 g/mol
Exact mass: 339.1471 Da
logP: 3.18Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 6
Stereocentres: R, Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

201856-53-3

SMILES

CCOC(C)O[C@@H]1[C@@H](N(C1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChIKey

XSYLUBKWRZCOQP-CXRLMVSZSA-N

InChI

InChI=1S/C20H21NO4/c1-3-24-14(2)25-18-17(15-10-6-4-7-11-15)21(20(18)23)19(22)16-12-8-5-9-13-16/h4-14,17-18H,3H2,1-2H3/t14?,17-,18+/m0/s1

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Names and synonyms

1 names

(3R,4S)-1-Benzoyl-3-(1-ethoxyethoxy)-4-phenylazetidin-2-one

Work with (3R,4S)-1-Benzoyl-3-(1-ethoxyethoxy)-4-phenyl-2-azetidinone

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

1,1-Dimethylethyl (3R,4S)-3-(1-ethoxyethoxy)-2-oxo-4-phenyl-1-azetidinecarboxylate201856-57-767 % similar (3R,4S)-1-Benzoyl-4-phenyl-3-[(triethylsilyl)oxy]-2-azetidinone149249-91-260 % similar (±)-Benzoin ethyl ether574-09-442 % similar 2,2-Diethoxyacetophenone6175-45-742 % similar [2-(1-Ethoxyethoxy)ethyl]benzene2556-10-741 % similar (3R,4S)-tert-Butyl 2-oxo-4-phenyl-3-(triethylsilyloxy)azetidine-1-carboxylate149198-47-039 % similar N,N-Diethylbenzamide1696-17-939 % similar Eprazinone10402-90-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-5-aminopentanoic acid123622-48-0 Fmoc-L-norvaline135112-28-6 (2R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)pentanoic acid144701-24-6 Dicentrine517-66-8 Canadine522-97-4 Fmoc-L-valine68858-20-8 Fmoc-D-valine84624-17-9 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-isovaline857478-30-9

Elsewhere

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