15-benzyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione

C17H22N2O6 — CID 583119

IUPAC15-benzyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione
SMILESO=C1COCC(=O)OC(Cc2ccccc2)C(=O)NCCOCCN1
InChIInChI=1S/C17H22N2O6/c20-15-11-24-12-16(21)25-14(10-13-4-2-1-3-5-13)17(22)19-7-9-23-8-6-18-15/h1-5,14H,6-12H2,(H,18,20)(H,19,22)
InChIKeyKWRXSQNUHZQUJK-UHFFFAOYSA-N
MW350.37 g/mol
LogP-0.58
Rot. Bonds2

About 15-benzyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione

15-benzyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione (PubChem CID 583119) has the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol. Its IUPAC name is 15-benzyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione.

Molecular Properties

Compound Name15-benzyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione
PubChem CID583119
Molecular FormulaC17H22N2O6
Molecular Weight350.37 g/mol
Exact Mass350.15
IUPAC Name15-benzyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione
SMILESO=C1COCC(=O)OC(Cc2ccccc2)C(=O)NCCOCCN1
InChIInChI=1S/C17H22N2O6/c20-15-11-24-12-16(21)25-14(10-13-4-2-1-3-5-13)17(22)19-7-9-23-8-6-18-15/h1-5,14H,6-12H2,(H,18,20)(H,19,22)
InChIKeyKWRXSQNUHZQUJK-UHFFFAOYSA-N
XLogP-0.58
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 15-benzyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione?
The IUPAC name of 15-benzyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione (CID 583119) is 15-benzyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione.
What is the SMILES notation for 15-benzyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione?
The canonical SMILES for 15-benzyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione is O=C1COCC(=O)OC(Cc2ccccc2)C(=O)NCCOCCN1.
What is the InChIKey of 15-benzyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione?
The InChIKey is KWRXSQNUHZQUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6/c20-15-11-24-12-16(21)25-14(10-13-4-2-1-3-5-13)17(22)19-7-9-23-8-6-18-15/h1-5,14H,6-12H2,(H,18,20)(H,19,22).
What are the key properties of 15-benzyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione?
15-benzyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione has a molecular weight of 350.37 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-benzyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione is sourced from PubChem (CID 583119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).