(+/-)-trans-2-diethylaminocarbonyl-8a-(3-methoxyphenyl)-3-methyl-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrrolo[2,3-g]isoquinoline

HCID 22883692
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Basic information

Standard SMILES
CCN(CC)C(=O)c1[nH]c2c(c1C)C[C@@H]1CNCC[C@@]1(c1cccc(OC)c1)C2
InChIKey
JVESENGTYFBJDJ-KOSHJBKYSA-N
Molecular formula
C24H33N3O2
Average molar mass
395.5 g/mol

Names & identifiers

Preferred name
(+/-)-trans-2-diethylaminocarbonyl-8a-(3-methoxyphenyl)-3-methyl-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrrolo[2,3-g]isoquinoline
IUPAC
(4aS,8aR)-N,N-diethyl-8a-(3-methoxyphenyl)-3-methyl-1,4,4a,5,6,7,8,9-octahydropyrrolo[2,3-g]isoquinoline-2-carboxamide

Names & synonyms

SCHEMBL7481768JVESENGTYFBJDJ-KOSHJBKYSA-N(+/-)-trans-2-diethylaminocarbonyl-8a-(3-methoxyphenyl)-3-methyl-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrrolo[2,3-g]isoquinoline

Database identifiers

PubChem CID
22883692

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
57.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
29

Related reactions

1 records
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Linked notes

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