IUPAC name
6-(dimethylamino)-4,4-diphenylheptan-3-yl acetate
SMILES
CCC(OC(C)=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
Compound class
Analgesics, Opioid; Narcotics;
Therapeutic area
Used mainly in the treatment of narcotic dependence.
Common name
Methadyl Acetate
IUPAC name
6-(dimethylamino)-4,4-diphenylheptan-3-yl acetate
SMILES
CCC(OC(C)=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
INCHI
InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3
FORMULA
C23H31NO2
Common name
Methadyl Acetate
IUPAC name
6-(dimethylamino)-4,4-diphenylheptan-3-yl acetate
Molecular weight
353.498
clogP
4.894
clogS
-5.275
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
29.54
Number of Rings
2
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00101 | methyl acetate |
|
O(C(=O)C)C | 0.0151 |
| FDBF00141 | ethylbenzene |
|
c1(ccccc1)CC | 0.0371 |
| FDBF00289 | N,N-dimethylethanamine |
|
C(C)N(C)C | 0.0299 |
| FDBF00739 | N,N-dimethylpropan-2-amine |
|
N(C)(C)C(C)C | 0.0058 |
| FDBF00745 | (2R)-N,N-dimethylbutan-2-amine |
|
N(C)(C)C(CC)C | 0.0007 |
| FDBF00927 | propyl acetate |
|
C(COC(=O)C)C | 0.0017 |
| FDBF02769 | [(1R)-1-methylpropyl] acetate |
|
C(C)C(C)OC(=O)C | 0.0007 |
13 ,
2
