Dibucaine | SBID = 479 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 54.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 4.4 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 282.3 | ||
| Sum Formula: | C20H29N3O2 | ||
| M / g/mol: | 343.5 | ||
| Complexity: | 387.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aromatic, typical guest, drug
- Name: Dibucaine
- Preferred Abbreviation: Dibucaine
- IUPAC Name: 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
- CAS: 85-79-0
- CID: 3025
- InChiKey: PUFQVTATUTYEAL-UHFFFAOYSA-N
- InChi: InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)
- CanoSmiles: CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC
- IsoSmiles: CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC
