4-[3-(2H-1,3-benzodioxol-5-yl)propyl]-N-(2-methylpropyl)tetracyclo[5.4.0.0²,?.0³,?]undec-10-ene-8-carboxamide

AlkaPlorer ID: AK321559

Synonym: None

IUPAC Name: 4-[3-(1,3-benzodioxol-5-yl)propyl]-N-(2-methylpropyl)tetracyclo[5.4.0.02,5.03,9]undec-10-ene-8-carboxamide

Structure

SMILES: CC(C)CNC(=O)C1C2C=CC3C1CC1C(CCCC4=CC=C5OCOC5=C4)C2C31

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InChI: InChI=1S/C26H33NO3/c1-14(2)12-27-26(28)25-18-8-7-17-20(25)11-19-16(23(18)24(17)19)5-3-4-15-6-9-21-22(10-15)30-13-29-21/h6-10,14,16-20,23-25H,3-5,11-13H2,1-2H3,(H,27,28)

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InChIKey: MZNYKIXDEPFZJF-UHFFFAOYSA-N

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Reference

PubChem CID: 76165993

COCONUT: CNP0099466.3

Source

Properties Information

Molecule Weight: 407.5540000000002

TPSA: 47.56

MolLogP: 4.440500000000004

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information