tert-Butyl(4-(3-(dimethoxyphosphoryl)-2-oxopropyl)phenyl)carbamate

C₁₆H₂₄NO₆PCAS 494224-44-1357.34 g/mol

Open in Covalent MOL file

Carbamate Ketone Phosphonate

Properties

Molecular formula: C₁₆H₂₄NO₆P
Molar mass: 357.34 g/mol
Exact mass: 357.1341 Da
logP: 3.63Crippen estimate
Polar surface area: 90.9 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

494224-44-1

SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)CC(=O)CP(=O)(OC)OC

InChIKey

ZALILTZJEZWNEH-UHFFFAOYSA-N

InChI

InChI=1S/C16H24NO6P/c1-16(2,3)23-15(19)17-13-8-6-12(7-9-13)10-14(18)11-24(20,21-4)22-5/h6-9H,10-11H2,1-5H3,(H,17,19)

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Names and synonyms

1 names

tert-Butyl (4-(3-(dimethoxyphosphoryl)-2-oxopropyl)phenyl)carbamate

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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

tert-Butyl N-(4-(aminomethyl)phenyl)carbamate220298-96-454 % similar tert-Butyl N-(4-bromophenyl)-carbamate131818-17-248 % similar (4-Hydroxyphenyl)carbamic acid tert-butyl ester54840-15-248 % similar tert-Butyl (4-aminophenyl)carbamate71026-66-948 % similar t-Butyl carbanilate3422-01-348 % similar (4-Boc-aminophenyl)boronic acid380430-49-945 % similar Boc-4-abz-oh66493-39-845 % similar tert-Butyl Dimethylphosphonoacetate62327-21-345 % similar

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

Elsewhere

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