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

C14H22N2O3 — CID 4731050

IUPACN-ethyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCCNC(=O)C1(C)CC2(C)CC(C)(C1)C(=O)NC2=O
InChIInChI=1S/C14H22N2O3/c1-5-15-9(17)12(2)6-13(3)8-14(4,7-12)11(19)16-10(13)18/h5-8H2,1-4H3,(H,15,17)(H,16,18,19)
InChIKeyWQJITOJUKGTITR-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.98
Rot. Bonds2

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

N-ethyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (PubChem CID 4731050) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-ethyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.

Molecular Properties

Compound NameN-ethyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
PubChem CID4731050
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-ethyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCCNC(=O)C1(C)CC2(C)CC(C)(C1)C(=O)NC2=O
InChIInChI=1S/C14H22N2O3/c1-5-15-9(17)12(2)6-13(3)8-14(4,7-12)11(19)16-10(13)18/h5-8H2,1-4H3,(H,15,17)(H,16,18,19)
InChIKeyWQJITOJUKGTITR-UHFFFAOYSA-N
XLogP0.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The IUPAC name of N-ethyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (CID 4731050) is N-ethyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.
What is the SMILES notation for N-ethyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The canonical SMILES for N-ethyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is CCNC(=O)C1(C)CC2(C)CC(C)(C1)C(=O)NC2=O.
What is the InChIKey of N-ethyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The InChIKey is WQJITOJUKGTITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-15-9(17)12(2)6-13(3)8-14(4,7-12)11(19)16-10(13)18/h5-8H2,1-4H3,(H,15,17)(H,16,18,19).
What are the key properties of N-ethyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
N-ethyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is sourced from PubChem (CID 4731050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).