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

C13H20N2O3 — CID 4731049

IUPACN,1,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCNC(=O)C1(C)CC2(C)CC(C)(C1)C(=O)NC2=O
InChIInChI=1S/C13H20N2O3/c1-11(8(16)14-4)5-12(2)7-13(3,6-11)10(18)15-9(12)17/h5-7H2,1-4H3,(H,14,16)(H,15,17,18)
InChIKeyARJINVROTLYWHD-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.59
Rot. Bonds1

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

N,1,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (PubChem CID 4731049) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N,1,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.

Molecular Properties

Compound NameN,1,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
PubChem CID4731049
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN,1,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCNC(=O)C1(C)CC2(C)CC(C)(C1)C(=O)NC2=O
InChIInChI=1S/C13H20N2O3/c1-11(8(16)14-4)5-12(2)7-13(3,6-11)10(18)15-9(12)17/h5-7H2,1-4H3,(H,14,16)(H,15,17,18)
InChIKeyARJINVROTLYWHD-UHFFFAOYSA-N
XLogP0.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,1,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The IUPAC name of N,1,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (CID 4731049) is N,1,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.
What is the SMILES notation for N,1,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The canonical SMILES for N,1,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is CNC(=O)C1(C)CC2(C)CC(C)(C1)C(=O)NC2=O.
What is the InChIKey of N,1,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The InChIKey is ARJINVROTLYWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-11(8(16)14-4)5-12(2)7-13(3,6-11)10(18)15-9(12)17/h5-7H2,1-4H3,(H,14,16)(H,15,17,18).
What are the key properties of N,1,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
N,1,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is sourced from PubChem (CID 4731049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).