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

C14H22N2O3 — CID 4731200

IUPACN,1,3,5,7-pentamethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCNC(=O)C1(C)CC2(C)CC(C)(C1)C(=O)N(C)C2=O
InChIInChI=1S/C14H22N2O3/c1-12(9(17)15-4)6-13(2)8-14(3,7-12)11(19)16(5)10(13)18/h6-8H2,1-5H3,(H,15,17)
InChIKeyVNLCGHQGJRIISR-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.93
Rot. Bonds1

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

N,1,3,5,7-pentamethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (PubChem CID 4731200) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N,1,3,5,7-pentamethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.

Molecular Properties

Compound NameN,1,3,5,7-pentamethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
PubChem CID4731200
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN,1,3,5,7-pentamethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCNC(=O)C1(C)CC2(C)CC(C)(C1)C(=O)N(C)C2=O
InChIInChI=1S/C14H22N2O3/c1-12(9(17)15-4)6-13(2)8-14(3,7-12)11(19)16(5)10(13)18/h6-8H2,1-5H3,(H,15,17)
InChIKeyVNLCGHQGJRIISR-UHFFFAOYSA-N
XLogP0.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
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,1,3,5,7-pentamethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The IUPAC name of N,1,3,5,7-pentamethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (CID 4731200) is N,1,3,5,7-pentamethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.
What is the SMILES notation for N,1,3,5,7-pentamethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The canonical SMILES for N,1,3,5,7-pentamethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is CNC(=O)C1(C)CC2(C)CC(C)(C1)C(=O)N(C)C2=O.
What is the InChIKey of N,1,3,5,7-pentamethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The InChIKey is VNLCGHQGJRIISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-12(9(17)15-4)6-13(2)8-14(3,7-12)11(19)16(5)10(13)18/h6-8H2,1-5H3,(H,15,17).
What are the key properties of N,1,3,5,7-pentamethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
N,1,3,5,7-pentamethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3,5,7-pentamethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is sourced from PubChem (CID 4731200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).