4,4,8,8-tetramethyl-2,13-dioxa-1-azabicyclo[12.4.0]octadecane-3,12-dione

C19H33NO4 — CID 140582953

IUPAC4,4,8,8-tetramethyl-2,13-dioxa-1-azabicyclo[12.4.0]octadecane-3,12-dione
SMILESCC1(C)CCCC(=O)OC2CCCCN2OC(=O)C(C)(C)CCC1
InChIInChI=1S/C19H33NO4/c1-18(2)11-7-10-16(21)23-15-9-5-6-14-20(15)24-17(22)19(3,4)13-8-12-18/h15H,5-14H2,1-4H3
InChIKeyJXMJMHSFTAJYKV-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.21
Rot. Bonds

About 4,4,8,8-tetramethyl-2,13-dioxa-1-azabicyclo[12.4.0]octadecane-3,12-dione

4,4,8,8-tetramethyl-2,13-dioxa-1-azabicyclo[12.4.0]octadecane-3,12-dione (PubChem CID 140582953) has the molecular formula C19H33NO4 and a molecular weight of 339.48 g/mol. Its IUPAC name is 4,4,8,8-tetramethyl-2,13-dioxa-1-azabicyclo[12.4.0]octadecane-3,12-dione.

Molecular Properties

Compound Name4,4,8,8-tetramethyl-2,13-dioxa-1-azabicyclo[12.4.0]octadecane-3,12-dione
PubChem CID140582953
Molecular FormulaC19H33NO4
Molecular Weight339.48 g/mol
Exact Mass339.24
IUPAC Name4,4,8,8-tetramethyl-2,13-dioxa-1-azabicyclo[12.4.0]octadecane-3,12-dione
SMILESCC1(C)CCCC(=O)OC2CCCCN2OC(=O)C(C)(C)CCC1
InChIInChI=1S/C19H33NO4/c1-18(2)11-7-10-16(21)23-15-9-5-6-14-20(15)24-17(22)19(3,4)13-8-12-18/h15H,5-14H2,1-4H3
InChIKeyJXMJMHSFTAJYKV-UHFFFAOYSA-N
XLogP4.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4,8,8-tetramethyl-2,13-dioxa-1-azabicyclo[12.4.0]octadecane-3,12-dione?
The IUPAC name of 4,4,8,8-tetramethyl-2,13-dioxa-1-azabicyclo[12.4.0]octadecane-3,12-dione (CID 140582953) is 4,4,8,8-tetramethyl-2,13-dioxa-1-azabicyclo[12.4.0]octadecane-3,12-dione.
What is the SMILES notation for 4,4,8,8-tetramethyl-2,13-dioxa-1-azabicyclo[12.4.0]octadecane-3,12-dione?
The canonical SMILES for 4,4,8,8-tetramethyl-2,13-dioxa-1-azabicyclo[12.4.0]octadecane-3,12-dione is CC1(C)CCCC(=O)OC2CCCCN2OC(=O)C(C)(C)CCC1.
What is the InChIKey of 4,4,8,8-tetramethyl-2,13-dioxa-1-azabicyclo[12.4.0]octadecane-3,12-dione?
The InChIKey is JXMJMHSFTAJYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO4/c1-18(2)11-7-10-16(21)23-15-9-5-6-14-20(15)24-17(22)19(3,4)13-8-12-18/h15H,5-14H2,1-4H3.
What are the key properties of 4,4,8,8-tetramethyl-2,13-dioxa-1-azabicyclo[12.4.0]octadecane-3,12-dione?
4,4,8,8-tetramethyl-2,13-dioxa-1-azabicyclo[12.4.0]octadecane-3,12-dione has a molecular weight of 339.48 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,8,8-tetramethyl-2,13-dioxa-1-azabicyclo[12.4.0]octadecane-3,12-dione is sourced from PubChem (CID 140582953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).