1-Butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea
Basic information
- CAS
72676-69-8- Standard SMILES
CCCCN(N=O)C(=O)Nc1ccc(C2CC(=O)N(C)C2=O)cc1- InChIKey
KUEAUGOGAMLKAF-UHFFFAOYSA-N- Molecular formula
- C16H20N4O4
- Average molar mass
- 332.35 g/mol
- Monoisotopic mass
- 332.14845513
Names & identifiers
- Preferred name
- 1-Butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea
- IUPAC
- 1-butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea
Names & synonyms
72676-69-8NSC3120311-butyl-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosoureaCHEMBL111663DTXSID20317167NSC-312031DS-012581N-butyl-N'-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-N-nitrosoureaUrea,n-butyl-n-[4-(1-methyl-2,5-dioxo-3-pyrrolidinyl)phenyl]-n-nitroso-
Database identifiers
- CAS
72676-69-8- PubChem CID
- 329429
- DTXSID
DTXSID20317167- ChEMBL
CHEMBL111663
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 502
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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