Basic information
- Standard SMILES
CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C)c2)c1- InChIKey
RYWKIHWVVABVPI-XZWHSSHBSA-N- Molecular formula
- C32H41N3O3
- Average molar mass
- 515.7 g/mol
Names & identifiers
- Preferred name
- N1-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methylbenzyl)amino]propyl}-N3,N3-dipropylisophthalamide
- IUPAC
- 1-N-[(2S,3R)-3-hydroxy-4-[(3-methylphenyl)methylamino]-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
Names & synonyms
N1-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methylbenzyl)amino]propyl}-N3,N3-dipropylisophthalamideN1-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methylbenzyl)amino}propyl]-N3,N3-dipropylisophthalamideSCHEMBL3350302RYWKIHWVVABVPI-XZWHSSHBSA-N
Database identifiers
- PubChem CID
- 21085331
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 689
Related reactions
2 records
Compound notes
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