1,1-Dimethylethyl N-[(1R)-1-(hydroxymethyl)-2,2-diphenylethyl]carbamate

C₂₀H₂₅NO₃CAS 155836-48-9327.42 g/mol

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Properties

Molecular formula: C₂₀H₂₅NO₃
Molar mass: 327.42 g/mol
Exact mass: 327.1834 Da
logP: 3.91Crippen estimate
Polar surface area: 62.0 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

155836-48-9

SMILES

CC(C)(C)OC(O)=N[C@@H](CO)C(c1ccccc1)c1ccccc1

InChIKey

OGVCRJDQGBIHAG-KRWDZBQOSA-N

InChI

InChI=1S/C20H25NO3/c1-20(2,3)24-19(23)21-17(14-22)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-18,22H,14H2,1-3H3,(H,21,23)/t17-/m0/s1

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Names and synonyms

3 names

Carbamic acid, N-[(1R)-1-(hydroxymethyl)-2,2-diphenylethyl]-, 1,1-dimethylethyl ester
Carbamic acid, [1-(hydroxymethyl)-2,2-diphenylethyl]-, 1,1-dimethylethyl ester, (R)-
(R)-N-(tert-Butoxycarbonyl)-β-phenyl-phenylalaninol

Work with 1,1-Dimethylethyl N-[(1R)-1-(hydroxymethyl)-2,2-diphenylethyl]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-[(1R)-2-hydroxy-1-phenylethyl]carbamate102089-74-776 % similar Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-γ-phenyl-, (S)-190190-50-270 % similar 1,1-Dimethylethyl N-[(1R,2R)-1-(hydroxymethyl)-2-(phenylmethoxy)propyl]carbamate133565-43-263 % similar 1,1-Dimethylethyl N-[(1S)-1-(hydroxymethyl)-2-methylpropyl]carbamate79069-14-060 % similar β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenepropanoic acid14676-01-858 % similar (2S,3S)-(-)-3-tert-Butoxycarbonylamino-1,2-epoxy-4-phenylbutane98737-29-255 % similar (2R,3S)-3-(tert-Butoxycarbonylamino)-1,2-epoxy-4-phenylbutane98760-08-855 % similar 1,1-Dimethylethyl N-[(1R)-2-[(methylsulfonyl)oxy]-1-phenylethyl]carbamate102089-75-854 % similar

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

Same formula

2-[(1,1-Dimethylethyl)(phenylmethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone64092-10-0

Elsewhere

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