1,1-Dimethylethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate

C₁₁H₂₃NO₅CAS 139115-92-7249.31 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₂₃NO₅
Molar mass: 249.31 g/mol
Exact mass: 249.1576 Da
logP: 0.74Crippen estimate
Polar surface area: 80.5 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 8

Identifiers

CAS number

139115-92-7

SMILES

CC(C)(C)OC(O)=NCCOCCOCCO

InChIKey

FMLOTGGIHAYZLW-UHFFFAOYSA-N

InChI

InChI=1S/C11H23NO5/c1-11(2,3)17-10(14)12-4-6-15-8-9-16-7-5-13/h13H,4-9H2,1-3H3,(H,12,14)

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Names and synonyms

5 names

Carbamic acid, N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-, 1,1-dimethylethyl ester
Carbamic acid, [2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-, 1,1-dimethylethyl ester
2-[2-(2-tert-Butyloxycarbonylaminoethoxy)ethoxy]ethanol
tert-Butyl [2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate
[2-[2-(2-Hydroxyethoxy)ethoxy]ethyl]carbamic acid tert-butyl ester

Work with 1,1-Dimethylethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]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 13-amino-5,8,11-trioxa-2-azatridecanoate101187-40-070 % similar Polyethylene glycol 2-(tert-butoxycarbonylamino)ethyl 2-carboxylethyl ether187848-68-665 % similar 1-(1,1-Dimethylethyl) 5,8,11,14-tetraoxa-2-azaheptadecanedioate756525-91-465 % similar 1,1-Dimethylethyl N-(5-hydroxypentyl)carbamate75178-90-462 % similar tert-Butyl (3-aminopropyl)carbamate75178-96-051 % similar Boc-β-alanine3303-84-250 % similar N-(tert-Butoxycarbonyl)-1,5-diaminopentane51644-96-349 % similar N-Boc-1,6-diaminohexane51857-17-149 % similar

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

Same formula

Boc-leu-oh monohydrate200936-87-4

Elsewhere

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