4-Benzyl-1,4,7,10-tetraazacyclododecane-2,6-dione

HCID 15702829
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Basic information

Standard SMILES
O=C1CN(Cc2ccccc2)CC(=O)NCCNCCN1
InChIKey
SHNXPFSBGGWIEY-UHFFFAOYSA-N
Molecular formula
C15H22N4O2
Average molar mass
290.36 g/mol
Monoisotopic mass
290.17427596

Names & identifiers

Preferred name
4-Benzyl-1,4,7,10-tetraazacyclododecane-2,6-dione
IUPAC
4-benzyl-1,4,7,10-tetrazacyclododecane-2,6-dione

Names & synonyms

4-Benzyl-1,4,7,10-tetraazacyclododecane-2,6-dioneSCHEMBL8024414SHNXPFSBGGWIEY-UHFFFAOYSA-N1-benzyl-3,11-dioxo-1,4,7,10-tetraazacyclododecane1-Benzyl-3,11-dioxo-1,4,7,10-tetraazacyclo-dodecane

Database identifiers

PubChem CID
15702829
Nikkaji
J3.636.352E

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
73.5 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
21

Related reactions

9 records
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Compound notes

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