13-phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane

C16H25NO4 — CID 626432

IUPAC13-phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane
SMILESc1ccc(N2CCOCCOCCOCCOCC2)cc1
InChIInChI=1S/C16H25NO4/c1-2-4-16(5-3-1)17-6-8-18-10-12-20-14-15-21-13-11-19-9-7-17/h1-5H,6-15H2
InChIKeySGDQOAKAHLFKBV-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.57
Rot. Bonds1

About 13-phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane

13-phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane (PubChem CID 626432) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 13-phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane.

Molecular Properties

Compound Name13-phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane
PubChem CID626432
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name13-phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane
SMILESc1ccc(N2CCOCCOCCOCCOCC2)cc1
InChIInChI=1S/C16H25NO4/c1-2-4-16(5-3-1)17-6-8-18-10-12-20-14-15-21-13-11-19-9-7-17/h1-5H,6-15H2
InChIKeySGDQOAKAHLFKBV-UHFFFAOYSA-N
XLogP1.57
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 13-phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The IUPAC name of 13-phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane (CID 626432) is 13-phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane.
What is the SMILES notation for 13-phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The canonical SMILES for 13-phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane is c1ccc(N2CCOCCOCCOCCOCC2)cc1.
What is the InChIKey of 13-phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The InChIKey is SGDQOAKAHLFKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-2-4-16(5-3-1)17-6-8-18-10-12-20-14-15-21-13-11-19-9-7-17/h1-5H,6-15H2.
What are the key properties of 13-phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane?
13-phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane has a molecular weight of 295.38 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane is sourced from PubChem (CID 626432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).