8-methoxy-2-(N-propyl-N-(3'-iodo-4'-hydroxyphenyl)-propionamido-N'-propylamino)tetralin
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Basic information
- CAS
114865-68-8- Standard SMILES
CCCN(CCCNC(=O)CCc1ccc(O)c(I)c1)C1CCc2cccc(OC)c2C1- InChIKey
SJZRIAMMNCVMFZ-UHFFFAOYSA-N- Molecular formula
- C26H35IN2O3
- Average molar mass
- 550.5 g/mol
- Monoisotopic mass
- 550.16924
Overview
structure given in first source
Names & identifiers
- Preferred name
- 8-methoxy-2-(N-propyl-N-(3'-iodo-4'-hydroxyphenyl)-propionamido-N'-propylamino)tetralin
- IUPAC
- 3-(4-hydroxy-3-iodophenyl)-N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]propyl]propanamide
- English name
- 8-methoxy-2-(N-propyl-N-(3'-iodo-4'-hydroxyphenyl)-propionamido-N'-propylamino)tetralin
- Molecular formula
- C26H35IN2O3
- Molecular weight
- 550.47
Names & synonyms
BH-8-Meo-N-pat114865-68-8Bolton-hunter-8-methoxy-2-(N-propyl-N-propylamino)tetralin8-Methoxy-2-(N-propyl-N-(3'-iodo-4'-hydroxyphenyl)-propionamido-N'-propylamino)tetralinRefChem:107228DTXSID609215203-(4-Hydroxy-3-iodophenyl)-N-{3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)(propyl)amino]propyl}propanimidic acidBenzenepropanamide, 4-hydroxy-3-iodo-N-(3-(propyl(1,2,3,4-tetrahydro-8-methoxy-2-naphthalenyl)amino)propyl)-4-Hydroxy-3-iodo-N-[3-[propyl(1,2,3,4-tetrahydro-8-methoxynaphthalen-2-yl)amino]propyl]benzenepropanamideBenzenepropanamide, 4-hydroxy-3-iodo-N-[3-[propyl(1,2,3,4-tetrahydro-8-methoxy-2-naphthalenyl)amino]propyl]-
Database identifiers
- CAS
114865-68-8- PubChem CID
- 130765
- DTXSID
DTXSID60921520- Nikkaji
- J227.592I
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 563
Related reactions
0 records
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Compound notes
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