Propionamide, N,N-diethyl-3-(ethyl(2-indol-3-ylethyl)amino)-, monopicrate
Basic information
- CAS
31720-81-7- Standard SMILES
CCN(CCC(=O)N(CC)CC)CCc1c[nH]c2ccccc12.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
HQNMIXRMZAVWEI-UHFFFAOYSA-N- Molecular formula
- C25H32N6O8
- Average molar mass
- 544.6 g/mol
- Monoisotopic mass
- 544.228162
Names & identifiers
- Preferred name
- Propionamide, N,N-diethyl-3-(ethyl(2-indol-3-ylethyl)amino)-, monopicrate
- IUPAC
- N,N-diethyl-3-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]propanamide;2,4,6-trinitrophenol
Names & synonyms
N,N-Diethyl-3-(ethyl(2-indol-3-ylethyl)amino)propionamide picratePropionamide, N,N-diethyl-3-(ethyl(2-indol-3-ylethyl)amino)-, monopicrate31720-81-7DTXSID50185614RefChem:374956DTXCID90108105N,N,N~3~-Triethyl-N~3~-[2-(1H-indol-3-yl)ethyl]-beta-alaninamide--2,4,6-trinitrophenol (1/1)
Database identifiers
- CAS
31720-81-7- PubChem CID
- 208161
- DTXSID
DTXSID50185614
Properties
Computed structural properties
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 648
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Compound notes
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