1,1-Dimethylethyl N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]carbamate

C₁₉H₃₂N₂O₃CAS 160232-08-6336.48 g/mol

Open in Covalent MOL file

Alcohol Secondary amine

Properties

Molecular formula: C₁₉H₃₂N₂O₃
Molar mass: 336.48 g/mol
Exact mass: 336.2413 Da
Melting point: 145 °C
logP: 2.93Crippen estimate
Polar surface area: 74.1 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 8
Stereocentres: R, Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H318 Causes serious eye damage50% of notifiers
H361 Suspected of damaging fertility or the unborn child50% of notifiers
H400 Very toxic to aquatic life50% of notifiers
H410 Very toxic to aquatic life with long lasting effects50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P318, P330, P391, P405, P501

Identifiers

CAS number

160232-08-6

SMILES

CC(C)CNC[C@@H](O)[C@H](Cc1ccccc1)N=C(O)OC(C)(C)C

InChIKey

NVEPLQDORJSXRO-DLBZAZTESA-N

InChI

InChI=1S/C19H32N2O3/c1-14(2)12-20-13-17(22)16(11-15-9-7-6-8-10-15)21-18(23)24-19(3,4)5/h6-10,14,16-17,20,22H,11-13H2,1-5H3,(H,21,23)/t16-,17+/m0/s1

Weigh it out

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

Names and synonyms

5 names

Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester
Carbamic acid, [2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester, [R-(R*,S*)]-
Carbamic acid, [(1S,2R)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester
tert-Butyl [(1S,2R)-1-benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate
tert-Butyl [(2S,3R)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-yl]carbamate

Work with 1,1-Dimethylethyl N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]carbamate

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 N-[(1S,2R)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]carbamate162536-40-568 % similar 1,1-Dimethylethyl N-[(1S,2S)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]carbamate165727-45-768 % similar (2S,3S)-(-)-3-tert-Butoxycarbonylamino-1,2-epoxy-4-phenylbutane98737-29-262 % similar (2R,3S)-3-(tert-Butoxycarbonylamino)-1,2-epoxy-4-phenylbutane98760-08-862 % similar tert-Butyl ((2R,3R)-3-(benzyloxy)-1-hydroxybutan-2-yl)carbamate133565-43-253 % similar tert-Butyl [(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl[(4-nitrophenyl)sulfonyl]amino]propyl]carbamate191226-98-952 % similar Boc-L-phenylalanine13734-34-451 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-951 % similar

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

Elsewhere

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