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CAS 1146443-78-8 N,2,5-triMethoxy-N-MethylbenzaMide molecular structure lightbox
CAS RN: 1146443-78-8

N,2,5-triMethoxy-N-MethylbenzaMide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260327 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINN927042
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1146443-78-8 / N,2,5-trimethoxy-N-methylbenzamide

N,2,5-trimethoxy-N-methylbenzamide | MFCD13398217 | SCHEMBL4833864

Standard CAS: 1146443-78-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1146443-78-8
Multi CAS
No
Molecular Formula
C11H15NO4
Molecular Weight
225.240000
Exact Mass
225.100108
SMILES
CN(C(=O)C1=C(C=CC(=C1)OC)OC)OC
InChI
InChI=1S/C11H15NO4/c1-12(16-4)11(13)9-7-8(14-2)5-6-10(9)15-3/h5-7H,1-4H3
InChIKey
MQDDPEOEMOCNSP-UHFFFAOYSA-N
Synonyms
N,2,5-trimethoxy-N-methylbenzamide MFCD13398217 SCHEMBL4833864 MQDDPEOEMOCNSP-UHFFFAOYSA-N AKOS006037819

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
58.65
TPSA
48

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
1.4
Consensus LogP
1.31
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-3.14

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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