Tricyclo(3.3.1.13,7)decan-1-acetamide
PubChem CID: 86819
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| Compound Synonyms | 2-(1-adamantyl)acetamide, 19026-73-4, 2-(adamantan-1-yl)acetamide, Tricyclo(3.3.1.13,7)decan-1-acetamide, 1-adamantaneacetamide, adamantylacetamide, EINECS 242-762-9, adamant-1-yl acetamide, Maybridge1_006634, Oprea1_333178, SCHEMBL1478949, HMS560F12, DTXSID50172509, 2-ADAMANTAN-1-YL-ACETAMIDE, MFCD00220381, AKOS001022308, DB-264290, NS00026220, AE-848/00964052, SR-01000396848, SR-01000396848-1, Z33546612 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 43.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1C2CC3CC1CC(C2)C3 |
| Deep Smiles | NC=O)CCCCCCC6)CCC8)C6 |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Scaffold Graph Node Level | C1C2CC3CC1CC(C2)C3 |
| Classyfire Subclass | Carboxylic acid derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 230.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1-adamantyl)acetamide |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H19NO |
| Scaffold Graph Node Bond Level | C1C2CC3CC1CC(C2)C3 |
| Inchi Key | BWHDTKLVHSIHSQ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | acetamide, 2-(adamantan-1-yl) |
| Esol Class | Soluble |
| Functional Groups | CC(N)=O |
| Compound Name | Tricyclo(3.3.1.13,7)decan-1-acetamide |
| Exact Mass | 193.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 193.147 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 193.28 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H19NO/c13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H2,13,14) |
| Smiles | C1C2CC3CC1CC(C2)(C3)CC(=O)N |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Rosmarinus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1491331