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3-[(2-Methyl-1-oxopropyl)amino]-2-butenamide structure
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3-[(2-Methyl-1-oxopropyl)amino]-2-butenamide

TL;DR: 3-[(2-Methyl-1-oxopropyl)amino]-2-butenamide (CAS 15846-26-1) is a chemical compound with molecular formula C8H14N2O2 and molecular weight 170.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3-(2-methylpropanoylamino)but-2-enamide

Also Known As: 3-(2-methylpropanoylamino)but-2-enamide, 3-((2-Methyl-1-oxopropyl)amino)-2-butenamide, 3-[(2-METHYL-1-OXOPROPYL)AMINO]-2-BUTENAMIDE, 2-Butenamide,3-[(2-methyl-1-oxopropyl)amino]-, 2-Butenamide, 3-((2-methyl-1-oxopropyl)amino)-

CAS Number
15846-26-1
Molecular Formula
C8H14N2O2
Molecular Weight
170.10553 g/mol
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Application Areas

Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.

Heterocyclic Building Blocks (1 patents) Organic Building Blocks (5 patents)

Technical Specifications

Molecular FormulaC8H14N2O2
Molecular Weight170.10553 g/mol
XLogP0.5
Topological Polar Surface Area (TPSA)72.2 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors2
Rotatable Bonds3
Exact Mass170.10553 Da
Heavy Atoms12
Complexity219.0
SMILESCC(C)C(=O)NC(=CC(=O)N)C
InChIKeyJBKZUDJFOSCJDL-UHFFFAOYSA-N

Chemical Property Profile of 3-[(2-Methyl-1-oxopropyl)amino]-2-butenamide

XLogP
0.5
TPSA (Topological Polar Surface Area)
72.2
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
Rotatable Bonds
3
Heavy Atoms
12
Complexity
219.0
Exact Mass
170.10553
Monoisotopic Mass
170.10553
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 3-[(2-Methyl-1-oxopropyl)amino]-2-butenamide

The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-Methyl-1-oxopropyl)amino]-2-butenamide. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-Methyl-1-oxopropyl)amino]-2-butenamide. Following Lipinski's Rule of Five, 3-[(2-Methyl-1-oxopropyl)amino]-2-butenamide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 3-[(2-Methyl-1-oxopropyl)amino]-2-butenamide?

The CAS number of 3-[(2-Methyl-1-oxopropyl)amino]-2-butenamide is 15846-26-1.

What is the molecular formula of 3-[(2-Methyl-1-oxopropyl)amino]-2-butenamide?

The molecular formula of 3-[(2-Methyl-1-oxopropyl)amino]-2-butenamide is C8H14N2O2.

What is the molecular weight of 3-[(2-Methyl-1-oxopropyl)amino]-2-butenamide?

The molecular weight of 3-[(2-Methyl-1-oxopropyl)amino]-2-butenamide is 170.10553 g/mol.

Where can I buy 3-[(2-Methyl-1-oxopropyl)amino]-2-butenamide?

You can request a quote for 3-[(2-Methyl-1-oxopropyl)amino]-2-butenamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 3-[(2-Methyl-1-oxopropyl)amino]-2-butenamide?

Yes, CoreyChem provides custom synthesis services for 3-[(2-Methyl-1-oxopropyl)amino]-2-butenamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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