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2-Propenoic acid, 1,1'-(2-(((((3-((((2-ethylhexyl)oxy)carbonyl)amino)methylphenyl)amino)carbonyl)oxy)methyl)-2-(((1-oxo-2-propen-1-yl)oxy)methyl)-1,3-propanediyl) ester

HCID 170989
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Basic information

CAS
51160-59-9
Standard SMILES
C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)Nc1cccc(NC(=O)OCC(CC)CCCC)c1C
InChIKey
NKNVNCKMHGFJHW-UHFFFAOYSA-N
Molecular formula
C31H42N2O10
Average molar mass
602.7 g/mol
Monoisotopic mass
602.28394554

Names & identifiers

Preferred name
2-Propenoic acid, 1,1'-(2-(((((3-((((2-ethylhexyl)oxy)carbonyl)amino)methylphenyl)amino)carbonyl)oxy)methyl)-2-(((1-oxo-2-propen-1-yl)oxy)methyl)-1,3-propanediyl) ester
IUPAC
[2-[[3-(2-ethylhexoxycarbonylamino)-2-methylphenyl]carbamoyloxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate

Names & synonyms

EINECS 257-025-751160-59-92-Propenoic acid, 1,1'-(2-(((((3-((((2-ethylhexyl)oxy)carbonyl)amino)methylphenyl)amino)carbonyl)oxy)methyl)-2-(((1-oxo-2-propen-1-yl)oxy)methyl)-1,3-propanediyl) ester2-Propenoic acid, 2-(((((3-((((2-ethylhexyl)oxy)carbonyl)amino)methylphenyl)amino)carbonyl)oxy)methyl)-2-(((1-oxo-2-propenyl)oxy)methyl)-1,3-propanediyl ester2-Propenoic acid, 1,1'-[2-[[[[[3-[[[(2-ethylhexyl)oxy]carbonyl]amino]methylphenyl]amino]carbonyl]oxy]methyl]-2-[[(1-oxo-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] esterRefChem:892242-(((((3-((((2-Ethylhexyl)oxy)carbonyl)amino)methylphenyl)amino)carbonyl)oxy)methyl)-2-(((1-oxoallyl)oxy)methyl)-1,3-propanediyl diacrylate2-[[[[[3-[[[(2-ETHYLHEXYL)OXY]CARBONYL]AMINO]METHYLPHENYL]AMINO]CARBONYL]OXY]METHYL]-2-[[(1-OXOALLYL)OXY]METHYL]-1,3-PROPANEDIYL DIACRYLATE

Database identifiers

CAS
51160-59-9
PubChem CID
170989
EC Number
257-025-7

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
156 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
24
Heavy atoms
43
Formal charge
0
Complexity
906

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Propenoic acid, 1,1'-[2-[[[[[3-[[[(2-ethylhexyl)oxy]carbonyl]amino]methylphenyl]amino]carbonyl]oxy]methyl]-2-[[(1-oxo-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] ester: INACTIVE

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Compound notes

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