IUPAC name
2-(diethylamino)ethyl 3-amino-4-propoxybenzoate
SMILES
CCCOC1=C(N)C=C(C=C1)C(=O)OCCN(CC)CC
Compound class
Anesthetics, Local; Ophthalmologicals; Sensory Organs; Local Anesthetics;
Therapeutic area
Used as a local (ophthalmic) anesthetic.
Common name
Proparacaine
IUPAC name
2-(diethylamino)ethyl 3-amino-4-propoxybenzoate
SMILES
CCCOC1=C(N)C=C(C=C1)C(=O)OCCN(CC)CC
INCHI
InChI=1S/C16H26N2O3/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3
FORMULA
C16H26N2O3
Common name
Proparacaine
IUPAC name
2-(diethylamino)ethyl 3-amino-4-propoxybenzoate
Molecular weight
294.389
clogP
2.510
clogS
-3.933
HBond Acceptor
4
HBond Donor
2
Total Polar Surface Area
64.79
Number of Rings
1
Rotatable Bond
10
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00046 | aniline |
|
Nc1ccccc1 | 0.0247 |
| FDBF00068 | N-methylethanamine |
|
N(CC)C | 0.0429 |
| FDBF00100 | ethyl formate |
|
O(C=O)CC | 0.0244 |
| FDBF00105 | methyl formate |
|
O(C=O)C | 0.0323 |
| FDBF00294 | N-ethyl-N-methyl-ethanamine |
|
C(C)N(CC)C | 0.0134 |
| FDBF00571 | 2-methoxyaniline |
|
O(C)c1c(cccc1)N | 0.0014 |
| FDBF01683 | 2-aminoethyl formate |
|
C(COC=O)N | 0.0027 |
| FDBF01835 | methyl 3-aminobenzoate |
|
Nc1cc(ccc1)C(=O)OC | 0.0003 |
15 ,
2
