Benzenepropanamide, 4-methoxy-N-(4,8,8-trimethyl-1-azatricyclo(3.3.1.1(sup 3,7))dec-4-yl)-

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Basic information

CAS: 86706-09-4
Standard SMILES: COc1ccc(CCC(=O)NC2(C)C3CC4CC2CN(C3)C4(C)C)cc1
InChIKey: YCVXNUYVKYLCDA-UHFFFAOYSA-N
Molecular formula: C22H32N2O2
Average molar mass: 356.5 g/mol
Monoisotopic mass: 356.24637827

Names & identifiers

Preferred name: Benzenepropanamide, 4-methoxy-N-(4,8,8-trimethyl-1-azatricyclo(3.3.1.1(sup 3,7))dec-4-yl)-
IUPAC: 3-(4-methoxyphenyl)-N-(4,8,8-trimethyl-1-azatricyclo[3.3.1.13,7]decan-4-yl)propanamide

Names & synonyms

Benzenepropanamide, 4-methoxy-N-(4,8,8-trimethyl-1-azatricyclo(3.3.1.1(sup 3,7))dec-4-yl)-86706-09-4N-(3-(p-Methoxyphenyl)propionyl)-4-amino-4,8,8-trimethyl-1-azaadamantane4-Methoxy-N-(4,8,8-trimethyl-1-azatricyclo(3.3.1.1(sup 3,7))dec-4-yl)benzenepropanamideRefChem:325080SCHEMBL10826703DTXSID0010070413-(4-Methoxyphenyl)-N-(4,8,8-trimethyl-1-azatricyclo[3.3.1.1~3,7~]decan-4-yl)propanimidic acid

Database identifiers

CAS: 86706-09-4
PubChem CID: 64527
DTXSID: DTXSID001007041

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 26
Formal charge: 0
Complexity: 522

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Compound notes

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