(1R,15R)-15-methyl-16-propan-2-yl-3,14-dioxa-11-azapentacyclo[7.5.1.12,5.01,11.06,15]hexadecan-4-one
PubChem CID: 5316539
Connections displayed (default: 10).
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| Topological Polar Surface Area | 38.8 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 520.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,15R)-15-methyl-16-propan-2-yl-3,14-dioxa-11-azapentacyclo[7.5.1.12,5.01,11.06,15]hexadecan-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C17H25NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CCEAFOJVRQZWQC-LWBAHGMJSA-N |
| Fcsp3 | 0.9411764705882352 |
| Logs | -3.32 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.853 |
| Compound Name | (1R,15R)-15-methyl-16-propan-2-yl-3,14-dioxa-11-azapentacyclo[7.5.1.12,5.01,11.06,15]hexadecan-4-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 291.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 291.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 291.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1808242000000004 |
| Inchi | InChI=1S/C17H25NO3/c1-9(2)12-13-11-5-4-10-8-18-6-7-20-17(18,16(10,11)3)14(12)21-15(13)19/h9-14H,4-8H2,1-3H3/t10?,11?,12?,13?,14?,16-,17-/m0/s1 |
| Smiles | CC(C)C1C2C3CCC4[C@@]3([C@@]5(C1OC2=O)N(C4)CCO5)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Nobile (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Santalum Album (Plant) Rel Props:Source_db:cmaup_ingredients