CAS RN: 16423-52-2

N-Decylacetamide

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  • Product code: starshine_CAS16423-52-2
  • Purity/Analytical Methods: >99.0%
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16423-52-2 / N-decylacetamide

Standard CAS: 16423-52-2 Multi CAS: No

Basic Information

CAS
16423-52-2
Multi CAS
No
Molecular Formula
C12H25NO
Molecular Weight
199.330000
Exact Mass
199.193614
SMILES
CCCCCCCCCCNC(=O)C
InChI
InChI=1S/C12H25NO/c1-3-4-5-6-7-8-9-10-11-13-12(2)14/h3-11H2,1-2H3,(H,13,14)
InChIKey
DXFXMYYJKFIEGI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.92
Rotatable bonds
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.29
TPSA
29.1

LogP / Solubility

WLOGP
3.26
MLOGP
2.87
XLogP3
4
Consensus LogP
3.38
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.74
Class (SILICOS-IT)
Slightly 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)
-1.62

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
1.5

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