CAS RN: 115910-75-3
N-(1-Isopropoxyethyl)acetamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260513 | 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTI0441
- Purity/Analytical Methods: >93.0%(GC)
115910-75-3 / N-(1-propan-2-yloxyethyl)acetamide
N-(1-Isopropoxyethyl)acetamide | N-(1-propan-2-yloxyethyl)acetamide | Acetamide, N-[1-(1-methylethoxy)ethyl]-
Basic Information
CAS
115910-75-3
Multi CAS
No
Molecular Formula
C7H15NO2
Molecular Weight
145.200000
Exact Mass
145.110279
SMILES
CC(C)OC(C)NC(=O)C
InChI
InChI=1S/C7H15NO2/c1-5(2)10-7(4)8-6(3)9/h5,7H,1-4H3,(H,8,9)
InChIKey
PUMLTXLDRDSMGQ-UHFFFAOYSA-N
Synonyms
N-(1-Isopropoxyethyl)acetamide
N-(1-propan-2-yloxyethyl)acetamide
Acetamide, N-[1-(1-methylethoxy)ethyl]-
MFCD00191526
SCHEMBL3621965
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.5
TPSA
38.33
LogP / Solubility
WLOGP
0.89
MLOGP
0.78
XLogP3
0.7
Consensus LogP
0.79
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
