Benzamide, N-(3,4-dimethoxyphenyl)-N-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-4-nitro-

HCID 656771

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Basic information

CAS: 113241-09-1
Standard SMILES: COc1ccc(CCN(C)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(OC)c(OC)c2)cc1OC
InChIKey: ADAGRLDCCJAKFP-UHFFFAOYSA-N
Molecular formula: C29H35N3O7
Average molar mass: 537.6 g/mol
Monoisotopic mass: 537.24750046

Names & identifiers

Preferred name: Benzamide, N-(3,4-dimethoxyphenyl)-N-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-4-nitro-
IUPAC: N-(3,4-dimethoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-nitrobenzamide

Names & synonyms

BRL-32872 free baseUMV604ENM8113241-09-1Benzamide, N-(3,4-dimethoxyphenyl)-N-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-4-nitro-UNII-UMV604ENM8CHEMBL182646BRL-32872AN-(3,4-dimethoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-nitrobenzamideSCHEMBL30357973DTXSID401116795BDBM50151867N-(3,4-dimethoxyphenyl)-N-(3-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}propyl)-4-nitrobenzamide

Show more names

N-(3,4-Dimethoxyphenyl)-N-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-4-nitrobenzamideQ4836374N-(3,4-Dimethoxy-phenyl)-N-(3-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-propyl)-4-nitro-benzamide

Database identifiers

CAS: 113241-09-1
PubChem CID: 656771
DTXSID: DTXSID401116795
ChEMBL: CHEMBL182646
UNII: UMV604ENM8
Nikkaji

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 106 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 13
Heavy atoms: 39
Formal charge: 0
Complexity: 743

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