10-benzyl-1,4,7-trioxa-10-azacyclododecane

C15H23NO3 — CID 766194

IUPAC10-benzyl-1,4,7-trioxa-10-azacyclododecane
SMILESc1ccc(CN2CCOCCOCCOCC2)cc1
InChIInChI=1S/C15H23NO3/c1-2-4-15(5-3-1)14-16-6-8-17-10-12-19-13-11-18-9-7-16/h1-5H,6-14H2
InChIKeyJPSAXKRUQAICFV-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.55
Rot. Bonds2

About 10-benzyl-1,4,7-trioxa-10-azacyclododecane

10-benzyl-1,4,7-trioxa-10-azacyclododecane (PubChem CID 766194) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 10-benzyl-1,4,7-trioxa-10-azacyclododecane.

Molecular Properties

Compound Name10-benzyl-1,4,7-trioxa-10-azacyclododecane
PubChem CID766194
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name10-benzyl-1,4,7-trioxa-10-azacyclododecane
SMILESc1ccc(CN2CCOCCOCCOCC2)cc1
InChIInChI=1S/C15H23NO3/c1-2-4-15(5-3-1)14-16-6-8-17-10-12-19-13-11-18-9-7-16/h1-5H,6-14H2
InChIKeyJPSAXKRUQAICFV-UHFFFAOYSA-N
XLogP1.55
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-benzyl-1,4,7-trioxa-10-azacyclododecane?
The IUPAC name of 10-benzyl-1,4,7-trioxa-10-azacyclododecane (CID 766194) is 10-benzyl-1,4,7-trioxa-10-azacyclododecane.
What is the SMILES notation for 10-benzyl-1,4,7-trioxa-10-azacyclododecane?
The canonical SMILES for 10-benzyl-1,4,7-trioxa-10-azacyclododecane is c1ccc(CN2CCOCCOCCOCC2)cc1.
What is the InChIKey of 10-benzyl-1,4,7-trioxa-10-azacyclododecane?
The InChIKey is JPSAXKRUQAICFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-4-15(5-3-1)14-16-6-8-17-10-12-19-13-11-18-9-7-16/h1-5H,6-14H2.
What are the key properties of 10-benzyl-1,4,7-trioxa-10-azacyclododecane?
10-benzyl-1,4,7-trioxa-10-azacyclododecane has a molecular weight of 265.35 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-1,4,7-trioxa-10-azacyclododecane is sourced from PubChem (CID 766194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).