Dodecanamide
IUPAC name: dodecanamide
CAS Number: 1120-16-7
Class: Fatty acid
Mushrooms contain this compound
1 mushrooms
| MushID |
Thai name |
Common name |
Scientific name |
Family |
| 3 |
เห็ดแครง |
Spit gills |
Schizophyllum commune Fr. |
Schizophyllaceae |
2D Structure
Compound Properties
SMILES
CCCCCCCCCCCC(=O)N
Physicochemical Properties
| Formula |
C12H25NO |
| Molecular wieght(g/mol) |
199.33 |
| Num. of Heavy atoms |
14 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
0.92 |
| Num. of Rotatable bonds |
10 |
| Num. of H-bond acceptors |
1 |
| Num. of H-bonds donors |
1 |
| Molar Refractivity |
62.71 |
| TPSA (square Angstrom) |
43.09 |
Lipophilicity
| iLOGP |
2.95 |
| XLOGP3 |
3.55 |
| WLOGP |
3.39 |
| MLOGP |
2.75 |
| Silicos-IT LOGP |
3.26 |
| Consensus LOGP |
3.18 |
Water Solubility
| ESOL |
|
| LogS |
-2.65 |
Solubility(mg/ml) |
4.44E-01 |
Solubility(mol/l) |
2.23E-03 |
Class |
Soluble |
| Ali |
|
| LogS |
-4.14 |
Solubility(mg/ml) |
1.44E-02 |
Solubility(mol/l) |
7.25E-05 |
Class |
Moderately soluble |
| Silicos-IT |
|
| LogS |
-3.91 |
Solubility(mg/ml) |
2.45E-02 |
Solubility(mol/l) |
1.23E-04 |
Class |
Soluble |
Pharmacokinetics
| GI absorbtion |
High |
| BBB permeant |
Yes |
| Pgp substrate |
No |
| CYP1A2 inhibitor |
Yes |
| CYP2C19 inhibitor |
No |
| CYP2C9 inhibitor |
No |
| CYP2D6 inhibitor |
No |
| CYP3A4 inhibitor |
No |
| Log Kp (skin permeation) (cm/s) |
-5.00 |
Druglikeness
| Lipinski Num. violations |
0 |
| Ghose Num. violations |
0 |
| 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 |
3 |
| Synthetic Accessibility |
1.69 |
