3,3-dimethyl-1,5-dioxa-10,13-diazacycloheptadecane-6,9,14,17-tetrone

C15H24N2O6 — CID 604133

IUPAC3,3-dimethyl-1,5-dioxa-10,13-diazacycloheptadecane-6,9,14,17-tetrone
SMILESCC1(C)COC(=O)CCC(=O)NCCNC(=O)CCC(=O)OC1
InChIInChI=1S/C15H24N2O6/c1-15(2)9-22-13(20)5-3-11(18)16-7-8-17-12(19)4-6-14(21)23-10-15/h3-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyKZCVBKFHRDMHME-UHFFFAOYSA-N
MW328.37 g/mol
LogP-0.09
Rot. Bonds

About 3,3-dimethyl-1,5-dioxa-10,13-diazacycloheptadecane-6,9,14,17-tetrone

3,3-dimethyl-1,5-dioxa-10,13-diazacycloheptadecane-6,9,14,17-tetrone (PubChem CID 604133) has the molecular formula C15H24N2O6 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3,3-dimethyl-1,5-dioxa-10,13-diazacycloheptadecane-6,9,14,17-tetrone.

Molecular Properties

Compound Name3,3-dimethyl-1,5-dioxa-10,13-diazacycloheptadecane-6,9,14,17-tetrone
PubChem CID604133
Molecular FormulaC15H24N2O6
Molecular Weight328.37 g/mol
Exact Mass328.16
IUPAC Name3,3-dimethyl-1,5-dioxa-10,13-diazacycloheptadecane-6,9,14,17-tetrone
SMILESCC1(C)COC(=O)CCC(=O)NCCNC(=O)CCC(=O)OC1
InChIInChI=1S/C15H24N2O6/c1-15(2)9-22-13(20)5-3-11(18)16-7-8-17-12(19)4-6-14(21)23-10-15/h3-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyKZCVBKFHRDMHME-UHFFFAOYSA-N
XLogP-0.09
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 5-0.09
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-10,13-diazacycloheptadecane-6,9,14,17-tetrone?
The IUPAC name of 3,3-dimethyl-1,5-dioxa-10,13-diazacycloheptadecane-6,9,14,17-tetrone (CID 604133) is 3,3-dimethyl-1,5-dioxa-10,13-diazacycloheptadecane-6,9,14,17-tetrone.
What is the SMILES notation for 3,3-dimethyl-1,5-dioxa-10,13-diazacycloheptadecane-6,9,14,17-tetrone?
The canonical SMILES for 3,3-dimethyl-1,5-dioxa-10,13-diazacycloheptadecane-6,9,14,17-tetrone is CC1(C)COC(=O)CCC(=O)NCCNC(=O)CCC(=O)OC1.
What is the InChIKey of 3,3-dimethyl-1,5-dioxa-10,13-diazacycloheptadecane-6,9,14,17-tetrone?
The InChIKey is KZCVBKFHRDMHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O6/c1-15(2)9-22-13(20)5-3-11(18)16-7-8-17-12(19)4-6-14(21)23-10-15/h3-10H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 3,3-dimethyl-1,5-dioxa-10,13-diazacycloheptadecane-6,9,14,17-tetrone?
3,3-dimethyl-1,5-dioxa-10,13-diazacycloheptadecane-6,9,14,17-tetrone has a molecular weight of 328.37 g/mol, XLogP of -0.09, 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-10,13-diazacycloheptadecane-6,9,14,17-tetrone is sourced from PubChem (CID 604133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).