Common name
N,4-dimethylpentanamide
IUPAC name
N,4-dimethylpentanamide
SMILES
O=C(NC)CCC(C)C
Common name
N,4-dimethylpentanamide
IUPAC name
N,4-dimethylpentanamide
SMILES
O=C(NC)CCC(C)C
INCHI
InChI=1S/C7H15NO/c1-6(2)4-5-7(9)8-3/h6H,4-5H2,1-3H3,(H,8,9)
FORMULA
C7H15NO
Common name
N,4-dimethylpentanamide
IUPAC name
N,4-dimethylpentanamide
Molecular weight
129.200
clogP
1.005
clogS
-1.862
Frequency
0.0007
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00648 | Marimastat |
|
Enzyme Inhibitors; | For the treatment of various cancers. |
| FDBD01114 | Carbetocin |
|
Oxytocics; Delayed-Action Preparations; Anti-tocolytic Agents; Labor Induction Agents; Pituitary and Hypothalamic Hormones and Analogues; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Posterior Pituitary Lobe Hormones; Oxytocin and Analogues; | Used to control postpartum hemorrhage and bleeding after giving birth. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1mnc_ligand_5_72.mol2 | 1mnc | 1 | -6.90 | C([C@H](C)C(=O)NC)C(C)C | 10 |
| 1rm8_ligand_5_633.mol2 | 1rm8 | 1 | -6.87 | C(C)(C)C[C@@H](C(=O)NC)C | 10 |
| 2w12_ligand_5_196.mol2 | 2w12 | 1 | -6.78 | [C@@H](CC(C)C)(C)C(=O)NC | 10 |
| 2ddf_ligand_5_200.mol2 | 2ddf | 1 | -6.71 | N(C(=O)[C@@H](C)CC(C)C)C | 10 |
| 2fv9_ligand_5_200.mol2 | 2fv9 | 1 | -6.71 | C(C(C)C)[C@H](C)C(=O)NC | 10 |
| 4pkw_ligand_5_73.mol2 | 4pkw | 1 | -6.70 | C(C(C)C)[C@@H](C(=O)NC)C | 10 |
| 2j83_ligand_5_633.mol2 | 2j83 | 1 | -6.62 | C[C@H](C(=O)NC)CC(C)C | 10 |
| 3ewj_ligand_5_200.mol2 | 3ewj | 1 | -6.60 | C[C@H](C(=O)NC)CC(C)C | 10 |
237 ,
24
