CAS RN: 267884-96-8

N-METHOXY-2-(4-METHOXYPHENYL)-N-METHYLACETAMIDE

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  • Product code: starshine_CAS267884-96-8
  • Purity/Analytical Methods: >99.0%
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267884-96-8 / N-methoxy-2-(4-methoxyphenyl)-N-methylacetamide

Standard CAS: 267884-96-8 Multi CAS: No

Basic Information

CAS
267884-96-8
Multi CAS
No
Molecular Formula
C11H15NO3
Molecular Weight
209.240000
Exact Mass
209.105193
InChI
InChI=1S/C11H15NO3/c1-12(15-3)11(13)8-9-4-6-10(14-2)7-5-9/h4-7H,8H2,1-3H3
InChIKey
XWQPEGPTJMQQCZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
56.48
TPSA
38.77

LogP / Solubility

WLOGP
1.26
MLOGP
1.11
XLogP3
1.3
Consensus LogP
1.22
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
Class (SILICOS-IT)
Moderately 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)
-3.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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