IUPAC name
N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanimidic acid
SMILES
CCCN(CC)C(CC)C(O)=NC1=C(C)C=CC=C1C
Compound class
Anesthetics, Local; Anesthetics; Nervous System; Amides;
Therapeutic area
Common name
Etidocaine
IUPAC name
N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanimidic acid
SMILES
CCCN(CC)C(CC)C(O)=NC1=C(C)C=CC=C1C
INCHI
InChI=1S/C17H28N2O/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5/h9-11,15H,6-8,12H2,1-5H3,(H,18,20)
FORMULA
C17H28N2O
Common name
Etidocaine
IUPAC name
N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanimidic acid
Molecular weight
276.417
clogP
4.165
clogS
-4.400
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
35.83
Number of Rings
1
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00068 | N-methylethanamine |
|
N(CC)C | 0.0429 |
| FDBF00069 | N-methylpropan-1-amine |
|
N(CCC)C | 0.0148 |
| FDBF00495 | N-(2,6-dimethylphenyl)formamide |
|
O=CNc1c(cccc1C)C | 0.0065 |
| FDBF00502 | m-xylene |
|
c1c(cccc1C)C | 0.0144 |
| FDBF00563 | N-ethyl-N-methyl-propan-1-amine |
|
C(C)CN(C)CC | 0.0031 |
| FDBF03903 | N-(2,6-dimethylphenyl)-2-(methylamino)acetamide |
|
c1(c(cccc1C)C)NC(=O)CNC | 0.0003 |
22 ,
3
