Common name
N-isobutylformamide
IUPAC name
N-isobutylformamide
SMILES
O=CNCC(C)C
Common name
N-isobutylformamide
IUPAC name
N-isobutylformamide
SMILES
O=CNCC(C)C
INCHI
InChI=1S/C5H11NO/c1-5(2)3-6-4-7/h4-5H,3H2,1-2H3,(H,6,7)
FORMULA
C5H11NO
Common name
N-isobutylformamide
IUPAC name
N-isobutylformamide
Molecular weight
101.147
clogP
0.335
clogS
-1.031
Frequency
0.0017
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01633 | Aliskiren |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; CYP3A4 Inhibitors; | For the treatment of hypertension, to lower blood pressure. |
| FDBD01634 | Ledipasvir |
|
Antiviral Agents; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; | Ledipasvir in combination with sofosbuvir, or in combination with sofosbuvir and ribavirin, is indicated for the treatment of chronic hepatitis C (CHC) genotype 1 infection in adults. |
| FDBD01682 | Daclatasvir |
|
Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; | Daklinza is used to treat patients who have chronic hepatitis C virus (HCV) genotype 3 infection. Daklinza is typically taken in conjunction with sofosbuvir. (2). |
| FDBD02697 | butylate |
|
Herbicide | Herbicide |
| FDBD03040 | tolprocarb |
|
Fungicide | Fungicide |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1qkb_ligand_2_50.mol2 | 1qkb | 1 | -6.32 | C(NC=O)C(C)C | 7 |
| 2xye_ligand_2_29.mol2 | 2xye | 1 | -6.29 | C(=O)NCC(C)(C)C | 8 |
| 2f3e_ligand_2_51.mol2 | 2f3e | 1 | -6.23 | C(=O)NCC(C)C | 7 |
| 2g94_ligand_2_143.mol2 | 2g94 | 1 | -6.23 | C(C(C)C)NC=O | 7 |
| 2qzl_ligand_2_77.mol2 | 2qzl | 1 | -6.21 | C(=O)NCC(C)C | 7 |
| 1oth_ligand_3_10.mol2 | 1oth | 1 | -6.18 | CCCNC=O | 6 |
| 1tcw_ligand_2_76.mol2 | 1tcw | 1 | -6.18 | C(NC=O)C(C)C | 7 |
| 2p4j_ligand_2_114.mol2 | 2p4j | 1 | -6.16 | C(=O)NCC(C)C | 7 |
671 ,
68
