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 |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00025 | propan-1-amine |
|
CCCN | 0.0292 |
| FDBF00033 | butanamide |
|
NC(=O)CCC | 0.0062 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00073 | N-ethylpropan-1-amine |
|
N(CCC)CC | 0.0086 |
| FDBF00289 | N,N-dimethylethanamine |
|
C(C)N(C)C | 0.0299 |
| FDBF00497 | N-(2,6-dimethylphenyl)acetamide |
|
CC(=O)Nc1c(cccc1C)C | 0.0027 |
| FDBF03902 | 2-[ethyl(methyl)amino]acetamide |
|
C(C)N(CC(=O)N)C | 0.0003 |
22 ,
3
