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CAS 1119-57-9 N-Methyloctanamide molecular structure lightbox
CAS RN: 1119-57-9

N-Methyloctanamide

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250615 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1119-57-9
  • Purity/Analytical Methods: >99.0%
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1119-57-9 / N-methyloctanamide

N-methyloctanamide | N-methyl caprylamide | SCHEMBL68288

Standard CAS: 1119-57-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1119-57-9
Multi CAS
No
Molecular Formula
C9H19NO
Molecular Weight
157.250000
Exact Mass
157.146664
SMILES
CCCCCCCC(=O)NC
InChI
InChI=1S/C9H19NO/c1-3-4-5-6-7-8-9(11)10-2/h3-8H2,1-2H3,(H,10,11)
InChIKey
XDXKSZZAKNNKSG-UHFFFAOYSA-N
Synonyms
N-methyloctanamide N-methyl caprylamide SCHEMBL68288 SCHEMBL2329212 SCHEMBL4621525

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.89
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.44
TPSA
29.1

LogP / Solubility

WLOGP
2.09
MLOGP
1.84
XLogP3
1.7
Consensus LogP
1.88
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly 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)
-2.19

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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