IUPAC name
4-acetamidophenyl 2-(diethylamino)acetate
SMILES
CCN(CC)CC(=O)OC1=CC=C(NC(C)=O)C=C1
Compound class
Analgesics; Nervous System; Anilides;
Therapeutic area
For temporary relief of pain.
Common name
Propacetamol
IUPAC name
4-acetamidophenyl 2-(diethylamino)acetate
SMILES
CCN(CC)CC(=O)OC1=CC=C(NC(C)=O)C=C1
INCHI
InChI=1S/C14H20N2O3/c1-4-16(5-2)10-14(18)19-13-8-6-12(7-9-13)15-11(3)17/h6-9H,4-5,10H2,1-3H3,(H,15,17)
FORMULA
C14H20N2O3
Common name
Propacetamol
IUPAC name
4-acetamidophenyl 2-(diethylamino)acetate
Molecular weight
264.320
clogP
1.641
clogS
-3.196
HBond Acceptor
4
HBond Donor
1
Total Polar Surface Area
58.64
Number of Rings
1
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00015 | acetamide |
|
NC(=O)C | 0.0460 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00068 | N-methylethanamine |
|
N(CC)C | 0.0429 |
| FDBF00070 | N-ethylethanamine |
|
N(CC)CC | 0.0240 |
| FDBF00294 | N-ethyl-N-methyl-ethanamine |
|
C(C)N(CC)C | 0.0134 |
| FDBF01159 | phenyl acetate |
|
O(C(=O)C)c1ccccc1 | 0.0010 |
| FDBF03553 | phenyl formate |
|
O(C=O)c1ccccc1 | 0.0007 |
| FDBF04376 | (4-acetamidophenyl) formate |
|
O=C(Nc1ccc(cc1)OC=O)C | 0.0003 |
| FDBF04377 | phenyl 2-aminoacetate |
|
C(C(=O)Oc1ccccc1)N | 0.0003 |
| FDBF04378 | (4-acetamidophenyl) acetate |
|
CC(=O)Oc1ccc(cc1)NC(=O)C | 0.0003 |
11 ,
2
