Chemical substance record

SMIP004

143360-00-3C₁₃H₁₉NO205.301 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A member of the class of N-benzylacetamides that is benzene substituted by acetylnitrilo, methyl, and butyl groups at positions 1, 2 and 4, respectively. It is a SKP2 E3 ligase inhibitor and a selective apoptosis inducer of human prostate cancer cells. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	143360-00-3	ChEBI ↗
Molecular formula	C₁₃H₁₉NO	ChEBI ↗
Molar mass	205.301 g/mol	ChEBI ↗
Monoisotopic mass	205.14666 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:230532	ChEBI ↗

Names & structural identifiers

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Source preferred name

SMIP004

IUPAC name

N-(4-butyl-2-methylphenyl)acetamide

InChIKey

ZFVMECVBUGMWIX-UHFFFAOYSA-N

SMILES

CCCCc1ccc(NC(C)=O)c(C)c1

InChI

InChI=1S/C13H19NO/c1-4-5-6-12-7-8-13(10(2)9-12)14-11(3)15/h7-9H,4-6H2,1-3H3,(H,14,15)

Names & synonyms

N-(4-butyl-2-methylphenyl)acetamide

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

toluenesChEBI parent class · 27024 ↗alkylbenzeneChEBI parent class · 38976 ↗N-benzylacetamidesChEBI parent class · 51931 ↗

hydrocarbon organic molecular entity

Roles recorded in ChEBI

autophagy induceranticoronaviral agentantidepressantantineoplastic agentapoptosis inducerEC 6.3.2.19 (ubiquitin--protein ligase) inhibitor

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.0048709 mol

Uses 205.301 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 13 atoms

76.06%

H

Hydrogen · 19 atoms

9.33%

O

Oxygen · 1 atom

7.79%

N

Nitrogen · 1 atom

6.82%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Chemical genetics approach to restoring p27Kip1 reveals novel compounds with antiproliferative activity in prostate cancer cells. ↗BMC biology · 2010 Dec 23 · PMID 21182779

Small molecule-induced mitochondrial disruption directs prostate cancer inhibition via UPR signaling. ↗Oncotarget · 2013 Aug · PMID 23902736

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:230532

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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