Basic information
- CAS
241127-59-3- Standard SMILES
CC(C)N(C(=O)c1ccc(NCc2cc(O)ccc2O)cc1)C(C)C- InChIKey
PDFWKEASESLRHH-UHFFFAOYSA-N- Molecular formula
- C20H26N2O3
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.1943427
Names & identifiers
- Preferred name
- 4-((2,5-Dihydroxybenzyl)amino)-N,N-diisopropylbenzamide
- IUPAC
- 4-[(2,5-dihydroxyphenyl)methylamino]-N,N-di(propan-2-yl)benzamide
Names & synonyms
NSC689431CHEMBL19900604-((2,5-Dihydroxybenzyl)amino)-N,N-diisopropylbenzamideDTXSID801155498NSC-689431241127-59-3NCI60_032197N, 4-[[(2,5-dihydroxyphenyl)-methyl]amino4-[(2,5-dihydroxyphenyl)methylamino]-N,N-diisopropyl-benzamide4-[[(2,5-Dihydroxyphenyl)methyl]amino]-N,N-bis(1-methylethyl)benzamide4-{[(2,5-Dihydroxyphenyl)methyl]amino}-N,N-di(propan-2-yl)benzamide
Database identifiers
- CAS
241127-59-3- PubChem CID
- 391016
- DTXSID
DTXSID801155498- ChEMBL
CHEMBL1990060
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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