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CAS 1118-69-0 N-Isopropylacetamide molecular structure lightbox
CAS RN: 1118-69-0

N-Isopropylacetamide

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251206 100g In stock Shanghai Inquiry
Batchno.20260213 10g In stock Shanghai Inquiry
Batchno.20260512 1g In stock Shanghai Inquiry
Batchno.20260604 1g / 5g / 10g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20260520 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20260324 500g In stock Shanghai Inquiry
Batchno.20260524 5g In stock Shanghai, Shenzhen Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260406 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-012320
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1118-69-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry
100g ≥95% 0 Out of Stock Hong Kong Inquiry

1118-69-0 / N-propan-2-ylacetamide

ISOVALERAMIDE | 3-Methylbutanamide | 3-Methylbutyramide

Standard CAS: 1118-69-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1118-69-0
Multi CAS
Yes
Molecular Formula
C5H11NO
Molecular Weight
101.150000
Exact Mass
101.084064
SMILES
CC(C)NC(=O)C
InChI
InChI=1S/C5H11NO/c1-4(2)6-5(3)7/h4H,1-3H3,(H,6,7)
InChIKey
PDUSWJORWQPNRP-UHFFFAOYSA-N
Synonyms
ISOVALERAMIDE 3-Methylbutanamide 3-Methylbutyramide Butanamide, 3-methyl- NFS1776

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
28.95
TPSA
29.1

LogP / Solubility

WLOGP
0.53
MLOGP
0.46
XLogP3
0.3
Consensus LogP
0.43
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.88
Class (SILICOS-IT)
Very 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)
-2.96

Drug-likeness / Medicinal Chemistry

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

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