3,3-dimethyl-1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone

C17H28N2O6 — CID 550980

IUPAC3,3-dimethyl-1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone
SMILESCC1(C)COC(=O)CCC(=O)NCCCCNC(=O)CCC(=O)OC1
InChIInChI=1S/C17H28N2O6/c1-17(2)11-24-15(22)7-5-13(20)18-9-3-4-10-19-14(21)6-8-16(23)25-12-17/h3-12H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOQROENBGTMXHRY-UHFFFAOYSA-N
MW356.42 g/mol
LogP0.69
Rot. Bonds

About 3,3-dimethyl-1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone

3,3-dimethyl-1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone (PubChem CID 550980) has the molecular formula C17H28N2O6 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3,3-dimethyl-1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone.

Molecular Properties

Compound Name3,3-dimethyl-1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone
PubChem CID550980
Molecular FormulaC17H28N2O6
Molecular Weight356.42 g/mol
Exact Mass356.19
IUPAC Name3,3-dimethyl-1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone
SMILESCC1(C)COC(=O)CCC(=O)NCCCCNC(=O)CCC(=O)OC1
InChIInChI=1S/C17H28N2O6/c1-17(2)11-24-15(22)7-5-13(20)18-9-3-4-10-19-14(21)6-8-16(23)25-12-17/h3-12H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOQROENBGTMXHRY-UHFFFAOYSA-N
XLogP0.69
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone?
The IUPAC name of 3,3-dimethyl-1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone (CID 550980) is 3,3-dimethyl-1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone.
What is the SMILES notation for 3,3-dimethyl-1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone?
The canonical SMILES for 3,3-dimethyl-1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone is CC1(C)COC(=O)CCC(=O)NCCCCNC(=O)CCC(=O)OC1.
What is the InChIKey of 3,3-dimethyl-1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone?
The InChIKey is OQROENBGTMXHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O6/c1-17(2)11-24-15(22)7-5-13(20)18-9-3-4-10-19-14(21)6-8-16(23)25-12-17/h3-12H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 3,3-dimethyl-1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone?
3,3-dimethyl-1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone has a molecular weight of 356.42 g/mol, XLogP of 0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone is sourced from PubChem (CID 550980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).