CAS 476615-23-3 4-nitro-N-(2-diethylamino-ethyl)-2-methoxy-benzamide (HCID 408891)

Substructure search Find similar structures

Basic information

CAS: 476615-23-3
Standard SMILES: CCN(CC)CCNC(=O)c1ccc([N+](=O)[O-])cc1OC
InChIKey: WTFSSDYAZCHKSU-UHFFFAOYSA-N
Molecular formula: C14H21N3O4
Average molar mass: 295.33 g/mol
Monoisotopic mass: 295.15320615

Names & identifiers

Preferred name: 4-nitro-N-(2-diethylamino-ethyl)-2-methoxy-benzamide
IUPAC: N-[2-(diethylamino)ethyl]-2-methoxy-4-nitrobenzamide

Names & synonyms

4-nitro-N-(2-diethylamino-ethyl)-2-methoxy-benzamideN-[2-(Diethylamino)ethyl]-2-methoxy-4-nitrobenzamide476615-23-3SCHEMBL1185108CHEMBL2010012DTXSID70328288WTFSSDYAZCHKSU-UHFFFAOYSA-NNCI60_001303N-(2-diethylamino-ethyl)-2-methoxy-4-nitro-benzamide

Database identifiers

CAS: 476615-23-3
PubChem CID: 408891
DTXSID: DTXSID70328288
ChEMBL: CHEMBL2010012
Nikkaji: J305.004A

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 87.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 21
Formal charge: 0
Complexity: 342

Related reactions

4 records

New reaction record

HRID 32286As reactantuspto-grants-2008_09

HRID 1552415As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2158991As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2262349As reactantuspto-grants-2010_12

Compound notes

Loading…