Mls003107120

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Basic information

CAS: 36101-80-1
Standard SMILES: COc1cc(C(=O)NC2CC(C)CC(C)(C)C2)cc(OC)c1OC
InChIKey: DFMOVWZOPBXSMW-UHFFFAOYSA-N
Molecular formula: C19H29NO4
Average molar mass: 335.4 g/mol
Monoisotopic mass: 335.20965841

Names & identifiers

Preferred name: Mls003107120
IUPAC: 3,4,5-trimethoxy-N-(3,3,5-trimethylcyclohexyl)benzamide

Names & synonyms

36101-80-1MLS003107120DTXSID20308050RefChem:357283DTXCID002591773,4,5-trimethoxy-N-(3,3,5-trimethylcyclohexyl)benzamideCambridge id 5927059NSC201709Oprea1_581890CHEMBL1888191CCG-54614AKOS003242984

Show more names

NSC-201709SMR001463967ST005991DS-009759SR-01000643703-1(3,4,5-trimethoxyphenyl)-N-(3,3,5-trimethylcyclohexyl)carboxamideBENZAMIDE,3,4,5-TRIMETHOXY-N-(3,3,5-TRIMETHYLCYCLOHEXYL)-

Database identifiers

CAS: 36101-80-1
PubChem CID: 304976
DTXSID: DTXSID20308050
ChEMBL: CHEMBL1888191

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 56.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 412

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Compound notes

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