Asimadoline
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide
Molecular Identity
Asimadoline
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide
PubChem CID: 179340
2D Structure
Properties
C27H30N2O2
Molecular Formula
414.50
Molecular Weight
g/mol
414.2307
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
43.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
531
Complexity
SMILES
Canonical SMILES
SMILES: CN(C(CN1CCC(C1)O)C2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4Isomeric SMILES
SMILES: CN([C@H](CN1CC[C@@H](C1)O)C2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4Synonyms(20)
Asimadoline153205-46-0EMD-61753EMD 61753asimadolinaN-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2,2-diphenylacetamideD0VK52NV5MDTXSID60165285EMD 61 753asimadolinumN-((1S)-2-((3S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N-methyl-2,2-diphenylacetamideN-{(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl}-N-methyl-2,2-diphenylacetamideN-((1S)-2-((3S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N-methyl-2,2-di(phenyl)acetamideN-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2,2-di(phenyl)acetamideRefChem:114516
Data from PubChem (NCBI)
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Drug Network
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