2-[(2R)-2-Hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-1H-isoindole-1,3(2H)-dione

C₂₁H₂₁N₃O₅CAS 446292-07-5395.42 g/mol

Open in Covalent MOL file

Alcohol Amide Ether Lactam Secondary amine

Properties

Molecular formula: C₂₁H₂₁N₃O₅
Molar mass: 395.42 g/mol
Exact mass: 395.1481 Da
logP: 1.12Crippen estimate
Polar surface area: 99.2 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed25% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation25% of notifiers
H319 Causes serious eye irritation25% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

446292-07-5

SMILES

O=C1c2ccccc2C(=O)N1C[C@H](O)CNc1ccc(N2CCOCC2=O)cc1

InChIKey

CKFVSMPWXAASIQ-MRXNPFEDSA-N

InChI

InChI=1S/C21H21N3O5/c25-16(12-24-20(27)17-3-1-2-4-18(17)21(24)28)11-22-14-5-7-15(8-6-14)23-9-10-29-13-19(23)26/h1-8,16,22,25H,9-13H2/t16-/m1/s1

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Names and synonyms

4 names

2-((2R)-2-Hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl)-1H-isoindole-1,3(2H)-dione
1H-Isoindole-1,3(2H)-dione, 2-[(2R)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-
2-[(2R)-2-Hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione
2-((2R)-2-Hydroxy-3-((4-(3-oxomorpholin-4-yl)phenyl)amino)propyl)-1H-isoindole-1,3(2H)-dione

Work with 2-[(2R)-2-Hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-1H-isoindole-1,3(2H)-dione

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

2-[[(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1H-isoindole-1,3(2H)-dione446292-08-661 % similar 4-(4-Aminophenyl)morpholin-3-one438056-69-044 % similar 4-[4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-morpholin-3-one446292-10-042 % similar Dechloro-rivaroxaban1415566-28-740 % similar 4-(4-((5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl)phenyl)morpholin-3-one hydrochloride898543-06-140 % similar Rivaroxaban366789-02-838 % similar 5-R-Rivaroxaban865479-71-638 % similar Deacetamide linezolid phthalimide168828-89-537 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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