Basic information
- CAS
36431-77-3- Standard SMILES
CCCCOc1ccc(CC(=O)N(C)CCN(C)CCc2ccccc2)cc1C.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
XYNBEROHPOUYKS-UHFFFAOYSA-N- Molecular formula
- C31H44N2O9
- Average molar mass
- 588.7 g/mol
- Monoisotopic mass
- 588.30468099
Names & identifiers
- Preferred name
- benzeneacetamide, 4-butoxy-n,3-dimethyl-n-(2-(methyl(2-phenylethyl)amino)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (salt)
- IUPAC
- 2-(4-butoxy-3-methylphenyl)-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]acetamide;2-hydroxypropane-1,2,3-tricarboxylic acid
Names & synonyms
74-93 R & CN-(Butoxy-4 methyl-3-phenyl-acetyl) N,N'-dimethyl N'-phenethyl ethylenediamine citrate36431-77-3Benzeneacetamide, 4-butoxy-N,3-dimethyl-N-(2-(methyl(2-phenylethyl)amino)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (salt)RefChem:324027DTXSID209577692-Hydroxypropane-1,2,3-tricarboxylic acid--2-(4-butoxy-3-methylphenyl)-N-methyl-N-{2-[methyl(2-phenylethyl)amino]ethyl}acetamide (1/1)
Database identifiers
- CAS
36431-77-3- PubChem CID
- 215841
- DTXSID
DTXSID20957769
Properties
Computed structural properties
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 17
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 677
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…