12,12,13,13-tetramethyl-4,9-dioxa-1-azabicyclo[8.2.2]tetradecane-5,8-dione

C15H25NO4 — CID 723999

IUPAC12,12,13,13-tetramethyl-4,9-dioxa-1-azabicyclo[8.2.2]tetradecane-5,8-dione
SMILESCC1(C)CC2CC(C)(C)N1CCOC(=O)CCC(=O)O2
InChIInChI=1S/C15H25NO4/c1-14(2)9-11-10-15(3,4)16(14)7-8-19-12(17)5-6-13(18)20-11/h11H,5-10H2,1-4H3
InChIKeyNDZNITMWGHZIFL-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.89
Rot. Bonds

About 12,12,13,13-tetramethyl-4,9-dioxa-1-azabicyclo[8.2.2]tetradecane-5,8-dione

12,12,13,13-tetramethyl-4,9-dioxa-1-azabicyclo[8.2.2]tetradecane-5,8-dione (PubChem CID 723999) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 12,12,13,13-tetramethyl-4,9-dioxa-1-azabicyclo[8.2.2]tetradecane-5,8-dione.

Molecular Properties

Compound Name12,12,13,13-tetramethyl-4,9-dioxa-1-azabicyclo[8.2.2]tetradecane-5,8-dione
PubChem CID723999
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name12,12,13,13-tetramethyl-4,9-dioxa-1-azabicyclo[8.2.2]tetradecane-5,8-dione
SMILESCC1(C)CC2CC(C)(C)N1CCOC(=O)CCC(=O)O2
InChIInChI=1S/C15H25NO4/c1-14(2)9-11-10-15(3,4)16(14)7-8-19-12(17)5-6-13(18)20-11/h11H,5-10H2,1-4H3
InChIKeyNDZNITMWGHZIFL-UHFFFAOYSA-N
XLogP1.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 12,12,13,13-tetramethyl-4,9-dioxa-1-azabicyclo[8.2.2]tetradecane-5,8-dione?
The IUPAC name of 12,12,13,13-tetramethyl-4,9-dioxa-1-azabicyclo[8.2.2]tetradecane-5,8-dione (CID 723999) is 12,12,13,13-tetramethyl-4,9-dioxa-1-azabicyclo[8.2.2]tetradecane-5,8-dione.
What is the SMILES notation for 12,12,13,13-tetramethyl-4,9-dioxa-1-azabicyclo[8.2.2]tetradecane-5,8-dione?
The canonical SMILES for 12,12,13,13-tetramethyl-4,9-dioxa-1-azabicyclo[8.2.2]tetradecane-5,8-dione is CC1(C)CC2CC(C)(C)N1CCOC(=O)CCC(=O)O2.
What is the InChIKey of 12,12,13,13-tetramethyl-4,9-dioxa-1-azabicyclo[8.2.2]tetradecane-5,8-dione?
The InChIKey is NDZNITMWGHZIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-14(2)9-11-10-15(3,4)16(14)7-8-19-12(17)5-6-13(18)20-11/h11H,5-10H2,1-4H3.
What are the key properties of 12,12,13,13-tetramethyl-4,9-dioxa-1-azabicyclo[8.2.2]tetradecane-5,8-dione?
12,12,13,13-tetramethyl-4,9-dioxa-1-azabicyclo[8.2.2]tetradecane-5,8-dione has a molecular weight of 283.37 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12,13,13-tetramethyl-4,9-dioxa-1-azabicyclo[8.2.2]tetradecane-5,8-dione is sourced from PubChem (CID 723999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).