Benzenepropanamide, 3-((2-(2,4-bis(1,1-dimethylpropyl)phenoxy)acetyl)amino)-N-(2-methoxyphenyl)-beta-oxo-
Basic information
- CAS
5355-37-3- Standard SMILES
CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(=O)CC(=O)Nc3ccccc3OC)c2)c(C(C)(C)CC)c1- InChIKey
JFJMYNRTYJNQHB-UHFFFAOYSA-N- Molecular formula
- C34H42N2O5
- Average molar mass
- 558.7 g/mol
- Monoisotopic mass
- 558.30937244
Names & identifiers
- Preferred name
- Benzenepropanamide, 3-((2-(2,4-bis(1,1-dimethylpropyl)phenoxy)acetyl)amino)-N-(2-methoxyphenyl)-beta-oxo-
- IUPAC
- 3-[3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl]amino]phenyl]-N-(2-methoxyphenyl)-3-oxopropanamide
- English name
- 3-[m-[[(2,4-di-tert-pentylphenoxy)acetyl]amino]phenyl]-N-(o-methoxyphenyl)-3-oxopropionamide
- Molecular formula
- C34H42N2O5
- Molecular weight
- 558.70768
Names & synonyms
EINECS 226-335-4Benzenepropanamide, 3(2-(2,4-bis(1,1-dimethylpropylphenoxy)-alpha-oxoethyl)amino)-N-(2-methoxyphenyl)-beta-oxo-Benzenepropanamide, 3-(((2,4-bis(1,1-dimethylpropyl)phenoxy)acetyl)amino)-N-(2-methoxyphenyl)-beta-oxo-Benzenepropanamide, 3-((2-(2,4-bis(1,1-dimethylpropyl)phenoxy)acetyl)amino)-N-(2-methoxyphenyl)-beta-oxo-Benzenepropanamide, 3-[[[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-(2-methoxyphenyl)-beta-oxo-Benzenepropanamide, 3-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-(2-methoxyphenyl)-beta-oxo-RefChem:563569Benzenepropanamide, 3-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-(2-methoxyphenyl)-.beta.-oxo-5355-37-33-[m-[[(2,4-di-tert-pentylphenoxy)acetyl]amino]phenyl]-N-(o-methoxyphenyl)-3-oxopropionamide3-[3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl]amino]phenyl]-N-(2-methoxyphenyl)-3-oxopropanamideBenzenepropanamide, 3-[[[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-(2-methoxyphenyl)-.beta.-oxo-
Show more names
2-aminoethanol,dioxomolybdenumdipentylphenoxyacetamido-N-methoxyphenyloxobenzenepropiona3-[[[2,4-Bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-(2-methoxyphenyl)-β-oxobenzenepropanamideBenzenepropanamide, 3-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-(2-methoxyphenyl)-β-oxo-
3-(m-(((2,4-Di-tert-pentylphenoxy)acetyl)amino)phenyl)-N-(o-methoxyphenyl)-3-oxopropionamideYRP68X7L6N3-(3-{2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetamido}phenyl)-N-(2-methoxyphenyl)-3-oxopropanamideDTXSID0063810JFJMYNRTYJNQHB-UHFFFAOYSA-NNS000327832-[3-[2-(2,4-Di-tert-pentylphenoxy)acetamido]benzoyl]-2'-methoxyacetanilide, 95%3-[[2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-(2-methoxyphenyl)-beta-oxobenzenepropanamide
Database identifiers
- CAS
5355-37-3- PubChem CID
- 79311
- DTXSID
DTXSID0063810- UNII
- YRP68X7L6N
- EC Number
- 226-335-4
- Nikkaji
- J217.922I
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 871
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EPA Substance Registry System
- 3 · Benzenepropanamide, 3-[[[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-(2-methoxyphenyl)-.beta.-oxo- (5355-37-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenepropanamide, 3-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-(2-methoxyphenyl)-.beta.-oxo-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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