n-Methyl-2-phenyl-n-[(5r,7s,8s)-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]dec-8-yl]acetamide
PubChem CID: 105104
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| Compound Synonyms | U-69593, 96744-75-1, U69593, U 69593, U 69,593, n-methyl-2-phenyl-n-[(5r,7s,8s)-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]dec-8-yl]acetamide, N-methyl-2-phenyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide, J5S4K6TKTG, N-Methyl-N-(7-(1-pyrrolidinyl)-1-oxaspiro(4,5)dec-8-yl)benzeneacetamide, [3H]U69593, DTXSID3046326, CHEBI:73357, Benzeneacetamide, N-methyl-N-(7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-, (5alpha,7alpha,8beta)-(-)-, NCGC00163179-01, Benzeneacetamide, N-methyl-N-((5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-, N-methyl-N-((5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-benzeneacetamide, U069593, U69,593, (+)-(5alpha,7alpha,8beta)-N-Methyl-N-[7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-benzeneacetamide, DTXCID1026326, (+)-N-methyl-2-phenyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide, (5alpha,7alpha,8beta)-(-)-N-methyl-N-(7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-benzeneacetamide, CAS-96744-75-1, UNII-J5S4K6TKTG, benzeneacetamide, N-methyl-N-[(5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-, N-methyl-2-phenyl-N-((5R,7S,8S)-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]decan-8-yl)acetamide, N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]decan-8-yl]acetamide, PDSP2_001518, [3H]-U69593, U-69593, solid, SCHEMBL726034, U-69,593, CHEMBL440765, GTPL1655, GTPL1656, BDBM21130, N-methyl-2-phenyl-N-(7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]decan-8-yl)acetamide, WDA74475, Tox21_112026, MFCD05664586, AKOS037643567, Tox21_112026_1, NCGC00163179-02, NCGC00163179-03, AS-16910, HY-12363, BCP0726000202, CS-0011105, NS00097763, H27823, 1-Oxaspiro[4.5]decane, benzeneacetamide deriv., U69-593, Q7862883, N-Methyl-N-((5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)benzeneacetamide, Benzeneacetamide, N-methyl-N-[(5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]- (9CI), Benzeneacetamide, N-methyl-N-[7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-, [5R-(5alpha,7alpha,8beta)]-, U 69593, U69593, Benzeneacetamide, N-methyl-N-[7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-, [5R-(5,7,8)]-, 1-Oxaspiro[4.5]decane, benzeneacetamide deriv. |
|---|---|
| Topological Polar Surface Area | 32.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 485.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | N-methyl-2-phenyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide |
| Prediction Hob | 0.0 |
| Target Id | NPT272, NPT271, NPT145 |
| Xlogp | 3.0 |
| Molecular Formula | C22H32N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PGZRDDYTKFZSFR-ONTIZHBOSA-N |
| Fcsp3 | 0.6818181818181818 |
| Logs | -5.537 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.862 |
| Compound Name | n-Methyl-2-phenyl-n-[(5r,7s,8s)-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]dec-8-yl]acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 356.246 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 356.246 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 356.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8126312307692314 |
| Inchi | InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1 |
| Smiles | CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N3CCCC3)C(=O)CC4=CC=CC=C4 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stephania Japonica (Plant) Rel Props:Source_db:cmaup_ingredients