2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide | SBID = 758 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 84.6 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.2 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 3.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 214.2 | ||
| Sum Formula: | C14H22N2O3 | ||
| M / g/mol: | 266.34 | ||
| Complexity: | 263.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aromatic, drug, typical guest
- Name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
- Preferred Abbreviation: Atenolol
- IUPAC Name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
- CAS: 29122-68-7
- CID: 2249
- InChiKey: METKIMKYRPQLGS-UHFFFAOYSA-N
- InChi: InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
- CanoSmiles: CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O
- IsoSmiles: CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O
