1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide

C13H20N2O3 — CID 4731211

IUPAC1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCN1C(=O)C2(C)CC(C)(C(N)=O)CC(C)(C2)C1=O
InChIInChI=1S/C13H20N2O3/c1-11(8(14)16)5-12(2)7-13(3,6-11)10(18)15(4)9(12)17/h5-7H2,1-4H3,(H2,14,16)
InChIKeyMWGZBSFAUCMAGF-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.67
Rot. Bonds1

About 1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide

1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (PubChem CID 4731211) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.

Molecular Properties

Compound Name1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
PubChem CID4731211
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCN1C(=O)C2(C)CC(C)(C(N)=O)CC(C)(C2)C1=O
InChIInChI=1S/C13H20N2O3/c1-11(8(14)16)5-12(2)7-13(3,6-11)10(18)15(4)9(12)17/h5-7H2,1-4H3,(H2,14,16)
InChIKeyMWGZBSFAUCMAGF-UHFFFAOYSA-N
XLogP0.67
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1,5,7-Trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbaldehyde
CID 85427594
7-Ethynyl-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-2,4-dione
CID 134858442
3-Methyl-3-azaspiro[5.5]undecane-2,4-dione
CID 254963
(1R,5S)-3-acetyl-1,5,7-trimethyl-3-azabicyclo[3.3.1]nonane-7-carbaldehyde
CID 12033481
1,5,7-Trimethyl-3-azabicyclo[3.3.1]nonan-2-one
CID 91371342
3-Propyl-3-azaspiro(5.5)undecane-2,4-dione
CID 19814205
N,1,3,5,7-pentamethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 4731200
Ethane;3-methyl-3-azaspiro[5.5]undecane-2,4-dione
CID 142262088
1,3,5,7-Tetramethyl-7-(pyrrolidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione
CID 4711374
N-tert-butyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 4731008
N-butyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 4731048
N,1,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 4731049

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The IUPAC name of 1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (CID 4731211) is 1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.
What is the SMILES notation for 1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The canonical SMILES for 1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is CN1C(=O)C2(C)CC(C)(C(N)=O)CC(C)(C2)C1=O.
What is the InChIKey of 1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The InChIKey is MWGZBSFAUCMAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-11(8(14)16)5-12(2)7-13(3,6-11)10(18)15(4)9(12)17/h5-7H2,1-4H3,(H2,14,16).
What are the key properties of 1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is sourced from PubChem (CID 4731211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).