n-Octanamide
IUPAC NAme: -
CAS Number: 629-01-6
Class: -
Plants contain this compound
1 plants
| HerbID |
Thai name |
Common name |
Scientific name |
Family |
| 23 |
กุ่มน้ำ |
- |
Crateva religiosa G.Forst. |
Capparidaceae |
2D Structure
Compound Properties
Smile
CCCCCCCC(N)=O
Physicochemical Properties
| Formula |
C8H17NO |
| Molecular wieght(g/mol) |
143.23 |
| Num. of Heavy atoms |
10 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
0.88 |
| Num. of Rotatable bonds |
6 |
| Num. of H-bond acceptors |
1 |
| Num. of H-bonds donors |
1 |
| Molar Refractivity |
43.48 |
| TPSA (square Angstrom) |
43.09 |
Lipophilicity
| iLOGP |
2.16 |
| XLOGP3 |
2.40 |
| WLOGP |
1.83 |
| MLOGP |
1.55 |
| Silicos-IT LOGP |
1.53 |
| Consensus LOGP |
1.90 |
Water Solubility
| ESOL |
|
| LogS |
-1.84 |
Solubility(mg/ml) |
2.05E+00 |
Solubility(mol/l) |
1.43E-02 |
Class |
Very soluble |
| Ali |
|
| LogS |
-2.95 |
Solubility(mg/ml) |
1.62E-01 |
Solubility(mol/l) |
1.13E-03 |
Class |
Soluble |
| Silicos-IT |
|
| LogS |
-2.26 |
Solubility(mg/ml) |
7.85E-01 |
Solubility(mol/l) |
5.48E-03 |
Class |
Soluble |
Pharmacokinetics
| GI absorbtion |
High |
| BBB permeant |
Yes |
| Pgp substrate |
No |
| CYP1A2 inhibitor |
No |
| CYP2C19 inhibitor |
No |
| CYP2C9 inhibitor |
No |
| CYP2D6 inhibitor |
No |
| CYP3A4 inhibitor |
No |
| Log Kp (skin permeation) (cm/s) |
-5.47 |
Druglikeness
| Lipinski Num. violations |
0 |
| Ghose Num. violations |
1 |
| Veber Num. violations |
0 |
| Egan Num. violations |
0 |
| Muegge Num. violations |
1 |
| Bioavailability Score |
0.55 |
Medicinal Chemistry
| PAINS Num. of alerts |
0 |
| Brenk Num. of alerts |
0 |
| Leadlikeness Num. of violations |
1 |
| Synthetic Accessibility |
1.28 |
