IUPAC name
1-(cyclohexylamino)propan-2-yl benzoate
SMILES
CC(CNC1CCCCC1)OC(=O)C1=CC=CC=C1
Compound class
Anesthetics, Local;
Therapeutic area
Used as a local anesthetic for surface application, infiltration or nerve block.
Common name
Hexylcaine
IUPAC name
1-(cyclohexylamino)propan-2-yl benzoate
SMILES
CC(CNC1CCCCC1)OC(=O)C1=CC=CC=C1
INCHI
InChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3
FORMULA
C16H23NO2
Common name
Hexylcaine
IUPAC name
1-(cyclohexylamino)propan-2-yl benzoate
Molecular weight
261.359
clogP
3.161
clogS
-3.661
HBond Acceptor
2
HBond Donor
1
Total Polar Surface Area
38.33
Number of Rings
2
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00100 | ethyl formate |
|
O(C=O)CC | 0.0244 |
| FDBF00355 | cyclohexane |
|
C1CCCCC1 | 0.0127 |
| FDBF00628 | isopropyl formate |
|
O(C=O)C(C)C | 0.0048 |
| FDBF01033 | cyclohexanamine |
|
NC1CCCCC1 | 0.0007 |
| FDBF01034 | ethyl benzoate |
|
c1(ccccc1)C(=O)OCC | 0.0024 |
| FDBF01035 | N-methylcyclohexanamine |
|
N(C1CCCCC1)C | 0.0007 |
| FDBF01036 | [(1R)-2-amino-1-methyl-ethyl] formate |
|
O(C=O)C(C)CN | 0.0003 |
| FDBF01037 | isopropyl benzoate |
|
c1(ccccc1)C(=O)OC(C)C | 0.0021 |
9 ,
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