2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-butylphenyl)acetamide
Basic information
- CAS
753472-43-4- Standard SMILES
CCCCc1ccc(NC(=O)Cn2c(=O)c(N3CCCCC3)c(N)n(C)c2=O)cc1- InChIKey
LTHCPRLXDBDSQI-UHFFFAOYSA-N- Molecular formula
- C22H31N5O3
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.24268987
Names & identifiers
- Preferred name
- 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-butylphenyl)acetamide
- IUPAC
- 2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-butylphenyl)acetamide
Names & synonyms
2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(4-butylphenyl)acetamideMLS002248505CHEMBL1899651DTXSID701328713HMS3090L23AKOS034446915753472-43-4SMR001315970Z557134102-[4-amino-3-methyl-2,6-dioxo-5-(piperidin-1-yl)-3,6-dihydropyrimidin-1(2H)-yl]-N-(4-butylphenyl)acetamide
Database identifiers
- CAS
753472-43-4- PubChem CID
- 2124000
- DTXSID
DTXSID701328713- ChEMBL
CHEMBL1899651
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 678
Experimental & physicochemical properties
Solubility26.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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