N-[(5R)-5-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-yl]acetamide
PubChem CID: 5321269
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| Topological Polar Surface Area | 52.6 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 517.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | N-[(5R)-5-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-yl]acetamide |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Is Pains | False |
| Molecular Formula | C18H28N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HOTPLWDGRGKENH-SAQNSUTMSA-N |
| Fcsp3 | 0.8333333333333334 |
| Rotatable Bond Count | 1.0 |
| Compound Name | N-[(5R)-5-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-2-en-8-yl]acetamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 304.215 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 304.215 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 304.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9655908 |
| Inchi | InChI=1S/C18H28N2O2/c1-11-9-16-18-6-4-8-20(16)7-3-5-13(18)15(19-12(2)21)10-14(18)17(11)22/h9,11,13-15,17,22H,3-8,10H2,1-2H3,(H,19,21)/t11?,13?,14?,15?,17-,18?/m1/s1 |
| Smiles | CC1C=C2C34CCCN2CCCC3C(CC4[C@@H]1O)NC(=O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Huperzia Serrata (Plant) Rel Props:Source_db:cmaup_ingredients