Benzyl (1R)-1-{[(2-bromoprop-2-enyl)(2,4-dimethoxybenzyl)amino]carbonyl}but-3-enylcarbamate

HCID 23657090

Basic information

Standard SMILES
C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N(CC(=C)Br)Cc1ccc(OC)cc1OC
InChIKey
XJVMVOUITFRIMF-JOCHJYFZSA-N
Molecular formula
C25H29BrN2O5
Average molar mass
517.4 g/mol

Names & identifiers

Preferred name
Benzyl (1R)-1-{[(2-bromoprop-2-enyl)(2,4-dimethoxybenzyl)amino]carbonyl}but-3-enylcarbamate
IUPAC
benzyl N-[(2R)-1-[2-bromoprop-2-enyl-[(2,4-dimethoxyphenyl)methyl]amino]-1-oxopent-4-en-2-yl]carbamate

Names & synonyms

SCHEMBL12219109XJVMVOUITFRIMF-JOCHJYFZSA-NBenzyl (1R)-1-{[(2-bromoprop-2-enyl) (2,4-dimethoxybenzyl)amino]carbonyl}but-3-enylcarbamatebenzyl (1R)-1-{[(2-bromoprop-2-enyl)(2,4-dimethoxybenzyl) amino]carbonyl}but-3-enylcarbamateBenzyl (1R)-1-{[(2-bromoprop-2-enyl)(2,4-dimethoxybenzyl)amino]carbonyl}but-3-enylcarbamate

Database identifiers

PubChem CID
23657090

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
77.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
13
Heavy atoms
33

Related reactions

43 records

Linked notes

Loading…