2-phenyl-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane

C17H27NO6 — CID 88924597

IUPAC2-phenyl-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane
SMILESc1ccc(N2COCCOCCOCCOCCOCCO2)cc1
InChIInChI=1S/C17H27NO6/c1-2-4-17(5-3-1)18-16-23-13-12-21-9-8-19-6-7-20-10-11-22-14-15-24-18/h1-5H,6-16H2
InChIKeyLKORZDUOZBAUSS-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.48
Rot. Bonds1

About 2-phenyl-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane

2-phenyl-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane (PubChem CID 88924597) has the molecular formula C17H27NO6 and a molecular weight of 341.40 g/mol. Its IUPAC name is 2-phenyl-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane.

Molecular Properties

Compound Name2-phenyl-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane
PubChem CID88924597
Molecular FormulaC17H27NO6
Molecular Weight341.40 g/mol
Exact Mass341.18
IUPAC Name2-phenyl-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane
SMILESc1ccc(N2COCCOCCOCCOCCOCCO2)cc1
InChIInChI=1S/C17H27NO6/c1-2-4-17(5-3-1)18-16-23-13-12-21-9-8-19-6-7-20-10-11-22-14-15-24-18/h1-5H,6-16H2
InChIKeyLKORZDUOZBAUSS-UHFFFAOYSA-N
XLogP1.48
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane?
The IUPAC name of 2-phenyl-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane (CID 88924597) is 2-phenyl-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane.
What is the SMILES notation for 2-phenyl-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane?
The canonical SMILES for 2-phenyl-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane is c1ccc(N2COCCOCCOCCOCCOCCO2)cc1.
What is the InChIKey of 2-phenyl-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane?
The InChIKey is LKORZDUOZBAUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO6/c1-2-4-17(5-3-1)18-16-23-13-12-21-9-8-19-6-7-20-10-11-22-14-15-24-18/h1-5H,6-16H2.
What are the key properties of 2-phenyl-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane?
2-phenyl-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane has a molecular weight of 341.40 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,4,7,10,13,16-hexaoxa-2-azacyclooctadecane is sourced from PubChem (CID 88924597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).