CAS RN: 519-88-0

ambucetamide

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  • Product code: starshine_CAS519-88-0
  • Purity/Analytical Methods: >99.0%
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519-88-0 / 2-(dibutylamino)-2-(4-methoxyphenyl)acetamide

Standard CAS: 519-88-0 Multi CAS: No

Basic Information

CAS
519-88-0
Multi CAS
No
Molecular Formula
C17H28N2O2
Molecular Weight
292.400000
Exact Mass
292.215078
InChI
InChI=1S/C17H28N2O2/c1-4-6-12-19(13-7-5-2)16(17(18)20)14-8-10-15(21-3)11-9-14/h8-11,16H,4-7,12-13H2,1-3H3,(H2,18,20)
InChIKey
WUSAVCGXMSWMQM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
86.32
TPSA
55.56

LogP / Solubility

WLOGP
3.12
MLOGP
2.76
XLogP3
3.4
Consensus LogP
3.09
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.35
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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