Basic information
- Standard SMILES
O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CNC2CCOCC2)c1- InChIKey
MJJZRZIZKOSDOY-UHFFFAOYSA-N- Molecular formula
- C25H33N3O3
- Average molar mass
- 423.5 g/mol
Names & identifiers
- Preferred name
- N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-3-(((tetrahydro-2H-pyran-4-yl)amino)methyl)benzamide
- IUPAC
- N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(oxan-4-ylamino)methyl]benzamide
Names & synonyms
CHEMBL3936288SCHEMBL15824170SCHEMBL30255186MJJZRZIZKOSDOY-UHFFFAOYSA-NBDBM176835US9675614, 15N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-3-(((tetrahydro-2H-pyran-4-yl)amino)methyl)benzamide
Database identifiers
- PubChem CID
- 76903261
- ChEMBL
CHEMBL3936288
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 554
Related reactions
1 records
Compound notes
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