N1-[2-(3,4-Dimethoxyphenyl)ethyl]-N6-[2-(2-thienyl)ethyl]hexanediamide

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Basic information

CAS: 93274-83-0
Standard SMILES: COc1ccc(CCNC(=O)CCCCC(=O)NCCc2cccs2)cc1OC
InChIKey: WPYUHESVZRKZDU-UHFFFAOYSA-N
Molecular formula: C22H30N2O4S
Average molar mass: 418.6 g/mol
Monoisotopic mass: 418.19262862

Names & identifiers

Preferred name: N1-[2-(3,4-Dimethoxyphenyl)ethyl]-N6-[2-(2-thienyl)ethyl]hexanediamide
IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-thiophen-2-ylethyl)hexanediamide

Names & synonyms

SCHEMBL10452193DTXSID701155188N1-[2-(3,4-Dimethoxyphenyl)ethyl]-N6-[2-(2-thienyl)ethyl]hexanediamide93274-83-0N~1~-[2-(3,4-Dimethoxyphenyl)ethyl]-N~6~-[2-(thiophen-2-yl)ethyl]hexanediamide

Database identifiers

CAS: 93274-83-0
PubChem CID: 57098005
DTXSID: DTXSID701155188

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 105 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 13
Heavy atoms: 29
Formal charge: 0
Complexity: 491

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Compound notes

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