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CAS 1040310-65-3 N-(2-acetylphenyl)octanamide molecular structure lightbox
CAS RN: 1040310-65-3

N-(2-acetylphenyl)octanamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251213 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1040310-65-3
  • Purity/Analytical Methods: >99.0%
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1040310-65-3 / N-(2-acetylphenyl)octanamide

N-(2-acetylphenyl)octanamide | MFCD12558265 | AKOS008519670

Standard CAS: 1040310-65-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1040310-65-3
Multi CAS
No
Molecular Formula
C16H23NO2
Molecular Weight
261.360000
Exact Mass
261.172879
SMILES
CCCCCCCC(=O)NC1=CC=CC=C1C(=O)C
InChI
InChI=1S/C16H23NO2/c1-3-4-5-6-7-12-16(19)17-15-11-9-8-10-14(15)13(2)18/h8-11H,3-7,12H2,1-2H3,(H,17,19)
InChIKey
SNHBODLWOMNGPE-UHFFFAOYSA-N
Synonyms
N-(2-acetylphenyl)octanamide MFCD12558265 AKOS008519670 AS-59522 CS-0038585

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
78.45
TPSA
46.17

LogP / Solubility

WLOGP
4.19
MLOGP
3.69
XLogP3
4.5
Consensus LogP
4.13
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.8
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.34

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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