6,12,18-Tris(benzyloxy)-7,13-dioxo-6,12,18-triazaoctadecanenitrile

HCID 9986266
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Basic information

Standard SMILES
N#CCCCCN(OCc1ccccc1)C(=O)CCCCN(OCc1ccccc1)C(=O)CCCCNOCc1ccccc1
InChIKey
KDNSNAUZTWWLKE-UHFFFAOYSA-N
Molecular formula
C36H46N4O5
Average molar mass
614.8 g/mol
Monoisotopic mass
614.34682058

Names & identifiers

Preferred name
6,12,18-Tris(benzyloxy)-7,13-dioxo-6,12,18-triazaoctadecanenitrile
IUPAC
N-[5-[4-cyanobutyl(phenylmethoxy)amino]-5-oxopentyl]-N-phenylmethoxy-5-(phenylmethoxyamino)pentanamide

Names & synonyms

SCHEMBL9327400KDNSNAUZTWWLKE-UHFFFAOYSA-N6,12,18-Tris(benzyloxy)-7,13-dioxo-6,12,18-triazaoctadecanenitrile

Database identifiers

PubChem CID
9986266

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
104 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
23
Heavy atoms
45

Related reactions

8 records
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Compound notes

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