4-Amino-N-[2-(diethylamino)ethyl]benzamide | SBID = 478 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 58.4 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.9 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 195.3 | ||
| Sum Formula: | C13H21N3O | ||
| M / g/mol: | 235.33 | ||
| Complexity: | 221.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest, aromatic, drug
- Name: 4-Amino-N-[2-(diethylamino)ethyl]benzamide
- Preferred Abbreviation: Procainamide
- IUPAC Name: 4-amino-N-[2-(diethylamino)ethyl]benzamide
- CAS: 51-06-9
- CID: 4913
- InChiKey: REQCZEXYDRLIBE-UHFFFAOYSA-N
- InChi: InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
- CanoSmiles: CCN(CC)CCNC(=O)C1=CC=C(C=C1)N
- IsoSmiles: CCN(CC)CCNC(=O)C1=CC=C(C=C1)N
