BAY-1433 free base

Substructure search Find similar structures

Basic information

CAS: 15421-87-1
Standard SMILES: CCN(CC)CCCOC(=O)C(O)(c1ccccc1)C(C)C
InChIKey: UJPHMJMXYUUISU-UHFFFAOYSA-N
Molecular formula: C18H29NO3
Average molar mass: 307.4 g/mol
Monoisotopic mass: 307.21474379

Names & identifiers

Preferred name: BAY-1433 free base
IUPAC: 3-(diethylamino)propyl 2-hydroxy-3-methyl-2-phenylbutanoate

Names & synonyms

BAY-1433 free base090P31D8XKUNII-090P31D8XK15421-87-1Mandelic acid, alpha-isopropyl-, 3-(diethylamino)propyl esterBenzeneacetic acid, alpha-hydroxy-alpha-(1-methylethyl)-, 3-(diethylamino)propyl esterQ27895858MANDELIC ACID, .ALPHA.-ISOPROPYL-, 3-(DIETHYLAMINO)PROPYL ESTERBENZENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-(1-METHYLETHYL)-, 3-(DIETHYLAMINO)PROPYL ESTER

Database identifiers

CAS: 15421-87-1
PubChem CID: 27277
UNII: 090P31D8XK

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 10
Heavy atoms: 22
Formal charge: 0
Complexity: 322

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…