N'-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-N-nitroso-N-propylurea
Basic information
- CAS
72676-68-7- Standard SMILES
CCCN(N=O)C(=O)Nc1ccc(C2CC(=O)N(C)C2=O)cc1- InChIKey
HJYPXQZSBUGHJT-UHFFFAOYSA-N- Molecular formula
- C15H18N4O4
- Average molar mass
- 318.33 g/mol
- Monoisotopic mass
- 318.13280507
Names & identifiers
- Preferred name
- N'-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-N-nitroso-N-propylurea
- IUPAC
- 3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitroso-1-propylurea
Names & synonyms
72676-68-7NSC312030CHEMBL325365DTXSID60317166N'-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-N-nitroso-N-propylureaNSC-312030DS-0047213-[4-(1-methyl-2,5-dioxo-pyrrolidin-3-yl)phenyl]-1-nitroso-1-propyl-urea
Database identifiers
- CAS
72676-68-7- PubChem CID
- 329428
- DTXSID
DTXSID60317166- ChEMBL
CHEMBL325365
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 488
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Compound notes
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