RO-5-6574

HCID 22221

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Basic information

CAS: 5936-70-9
Standard SMILES: CCOc1ccc(C(=O)NCc2ccc(OCCNC)cc2)cc1OCC
InChIKey: IZKSBKIVEJBRSO-UHFFFAOYSA-N
Molecular formula: C21H28N2O4
Average molar mass: 372.5 g/mol
Monoisotopic mass: 372.20490738

Names & identifiers

Preferred name: RO-5-6574
IUPAC: 3,4-diethoxy-N-[[4-[2-(methylamino)ethoxy]phenyl]methyl]benzamide

Names & synonyms

Ro 5-6574BRN 2783036E5D94EQ2APRO-5-6574BENZAMIDE, 3,4-DIETHOXY-N-(p-(2-(METHYLAMINO)ETHOXY)BENZYL)-UNII-E5D94EQ2AP3,4-Diethoxy-N-(p-(2-(methylamino)ethoxy)benzyl)benzamideDTXSID40208104Benzamide, 3,4-diethoxy-N-(((4-(2-methylamino)ethoxy)phenyl)methyl)-BENZAMIDE, 3,4-DIETHOXY-N-((4-(2-(METHYLAMINO)ETHOXY)PHENYL)METHYL)-RefChem:202884DTXCID20130595

Show more names

Benzamide, 3,4-diethoxy-N-(((4-(2-methylamino)ethoxy)phenyl)methyl)-(9CI)5936-70-93,4-diethoxy-N-({4-[2-(methylamino)ethoxy]phenyl}methyl)benzamideQ27896798

Database identifiers

CAS: 5936-70-9
PubChem CID: 22221
DTXSID: DTXSID40208104
UNII: E5D94EQ2AP
Nikkaji: J383.918D

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 68.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 11
Heavy atoms: 27
Formal charge: 0
Complexity: 413

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