16-benzyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane

C19H31NO5 — CID 6611190

IUPAC16-benzyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
SMILESc1ccc(CN2CCOCCOCCOCCOCCOCC2)cc1
InChIInChI=1S/C19H31NO5/c1-2-4-19(5-3-1)18-20-6-8-21-10-12-23-14-16-25-17-15-24-13-11-22-9-7-20/h1-5H,6-18H2
InChIKeyVZPRAOYHVHWTJR-UHFFFAOYSA-N
MW353.46 g/mol
LogP1.59
Rot. Bonds2

About 16-benzyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane

16-benzyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane (PubChem CID 6611190) has the molecular formula C19H31NO5 and a molecular weight of 353.46 g/mol. Its IUPAC name is 16-benzyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane.

Molecular Properties

Compound Name16-benzyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
PubChem CID6611190
Molecular FormulaC19H31NO5
Molecular Weight353.46 g/mol
Exact Mass353.22
IUPAC Name16-benzyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
SMILESc1ccc(CN2CCOCCOCCOCCOCCOCC2)cc1
InChIInChI=1S/C19H31NO5/c1-2-4-19(5-3-1)18-20-6-8-21-10-12-23-14-16-25-17-15-24-13-11-22-9-7-20/h1-5H,6-18H2
InChIKeyVZPRAOYHVHWTJR-UHFFFAOYSA-N
XLogP1.59
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 16-benzyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The IUPAC name of 16-benzyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane (CID 6611190) is 16-benzyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane.
What is the SMILES notation for 16-benzyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The canonical SMILES for 16-benzyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane is c1ccc(CN2CCOCCOCCOCCOCCOCC2)cc1.
What is the InChIKey of 16-benzyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The InChIKey is VZPRAOYHVHWTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO5/c1-2-4-19(5-3-1)18-20-6-8-21-10-12-23-14-16-25-17-15-24-13-11-22-9-7-20/h1-5H,6-18H2.
What are the key properties of 16-benzyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
16-benzyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane has a molecular weight of 353.46 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16-benzyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane is sourced from PubChem (CID 6611190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).