7,14-dimethoxy-3,3,10,10-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-5,12-dione

C16H30N2O6 — CID 85266590

IUPAC7,14-dimethoxy-3,3,10,10-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-5,12-dione
SMILESCOC1CC(=O)NC(C)(C)COC(OC)CC(=O)NC(C)(C)CO1
InChIInChI=1S/C16H30N2O6/c1-15(2)9-23-13(21-5)8-12(20)18-16(3,4)10-24-14(22-6)7-11(19)17-15/h13-14H,7-10H2,1-6H3,(H,17,19)(H,18,20)
InChIKeyRZGKDICIKZBTGB-UHFFFAOYSA-N
MW346.42 g/mol
LogP0.55
Rot. Bonds2

About 7,14-dimethoxy-3,3,10,10-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-5,12-dione

7,14-dimethoxy-3,3,10,10-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-5,12-dione (PubChem CID 85266590) has the molecular formula C16H30N2O6 and a molecular weight of 346.42 g/mol. Its IUPAC name is 7,14-dimethoxy-3,3,10,10-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-5,12-dione.

Molecular Properties

Compound Name7,14-dimethoxy-3,3,10,10-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-5,12-dione
PubChem CID85266590
Molecular FormulaC16H30N2O6
Molecular Weight346.42 g/mol
Exact Mass346.21
IUPAC Name7,14-dimethoxy-3,3,10,10-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-5,12-dione
SMILESCOC1CC(=O)NC(C)(C)COC(OC)CC(=O)NC(C)(C)CO1
InChIInChI=1S/C16H30N2O6/c1-15(2)9-23-13(21-5)8-12(20)18-16(3,4)10-24-14(22-6)7-11(19)17-15/h13-14H,7-10H2,1-6H3,(H,17,19)(H,18,20)
InChIKeyRZGKDICIKZBTGB-UHFFFAOYSA-N
XLogP0.55
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,14-dimethoxy-3,3,10,10-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-5,12-dione?
The IUPAC name of 7,14-dimethoxy-3,3,10,10-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-5,12-dione (CID 85266590) is 7,14-dimethoxy-3,3,10,10-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-5,12-dione.
What is the SMILES notation for 7,14-dimethoxy-3,3,10,10-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-5,12-dione?
The canonical SMILES for 7,14-dimethoxy-3,3,10,10-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-5,12-dione is COC1CC(=O)NC(C)(C)COC(OC)CC(=O)NC(C)(C)CO1.
What is the InChIKey of 7,14-dimethoxy-3,3,10,10-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-5,12-dione?
The InChIKey is RZGKDICIKZBTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O6/c1-15(2)9-23-13(21-5)8-12(20)18-16(3,4)10-24-14(22-6)7-11(19)17-15/h13-14H,7-10H2,1-6H3,(H,17,19)(H,18,20).
What are the key properties of 7,14-dimethoxy-3,3,10,10-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-5,12-dione?
7,14-dimethoxy-3,3,10,10-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-5,12-dione has a molecular weight of 346.42 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,14-dimethoxy-3,3,10,10-tetramethyl-1,8-dioxa-4,11-diazacyclotetradecane-5,12-dione is sourced from PubChem (CID 85266590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).