Common name
N-(2,6-dimethylphenyl)acetamide
IUPAC name
N-(2,6-dimethylphenyl)acetamide
SMILES
CC(=O)Nc1c(cccc1C)C
Common name
N-(2,6-dimethylphenyl)acetamide
IUPAC name
N-(2,6-dimethylphenyl)acetamide
SMILES
CC(=O)Nc1c(cccc1C)C
INCHI
InChI=1S/C10H13NO/c1-7-5-4-6-8(2)10(7)11-9(3)12/h4-6H,1-3H3,(H,11,12)
FORMULA
C10H13NO
Common name
N-(2,6-dimethylphenyl)acetamide
IUPAC name
N-(2,6-dimethylphenyl)acetamide
Molecular weight
163.216
clogP
2.322
clogS
-3.095
Frequency
0.0027
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00131 | Ranolazine |
|
Cardiovascular Agents; Sodium Channel Blockers; Cardiovascular System; Cardiac Therapy; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of chronic angina. It should be used in combination with amlodipine, beta-blockers or nitrates. |
| FDBD00168 | Lidocaine |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Anesthetics, Local; Anesthetics; Respiratory System; Ophthalmologicals; Sensory Organs; Throat Preparations; Dermatologicals; Nervous System; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ib; Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; Anesthetics for Topical Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Amides; Analgesics and Anesthetics; Otologicals; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For production of local or regional anesthesia by infiltration techniques such as percutaneous injection and intravenous regional anesthesia by peripheral nerve block techniques such as brachial plexus and intercostal and by central neural techniques such as lumbar and caudal epidural blocks. |
| FDBD01609 | Etidocaine |
|
Anesthetics, Local; Anesthetics; Nervous System; Amides; | |
| FDBD02918 | benalaxyl |
|
Fungicide | Fungicide |
| FDBD02919 | benalaxyl-M |
|
Fungicide | Fungicide |
| FDBD02921 | metalaxyl |
|
Fungicide | Fungicide |
| FDBD02922 | metalaxyl-M |
|
Fungicide | Fungicide |
| FDBD02933 | oxadixyl |
|
Fungicide | Fungicide |
8 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4nie_ligand_3_145.mol2 | 4nie | 0.809524 | -7.13 | CC(=O)Nc1ccc(C)cc1 | 11 |
| 3fkt_ligand_2_1.mol2 | 3fkt | 0.809524 | -6.84 | C(=O)(Nc1ccc(cc1)C)C | 11 |
| 1m51_ligand_2_27.mol2 | 1m51 | 0.809524 | -6.32 | Cc1ccc(cc1)NC(=O)C | 11 |
| 4kiq_ligand_1_1.mol2 | 4kiq | 0.8 | -7.14 | c1(c(cccc1)NC=O)C | 10 |
| 3b2w_ligand_1_0.mol2 | 3b2w | 0.8 | -6.90 | N(C=O)c1ccccc1C | 10 |
| 2nyr_ligand_1_2.mol2 | 2nyr | 0.8 | -6.83 | N(C=O)c1ccccc1C | 10 |
| 4x3u_ligand_1_2.mol2 | 4x3u | 0.8 | -6.70 | c1cc(c(cc1)C)NC=O | 10 |
| 4x3u_ligand_1_7.mol2 | 4x3u | 0.8 | -6.70 | c1(ccccc1C)NC=O | 10 |
| 4nwm_ligand_1_5.mol2 | 4nwm | 0.8 | -6.30 | c1ccc(c(c1)NC=O)C | 10 |
| 2h9t_ligand_1_2.mol2 | 2h9t | 0.8 | -6.15 | N(C=O)c1ccccc1C | 10 |
119 ,
12
