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

C20H26N2O3 — CID 4731042

IUPACN-(2,5-dimethylphenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2(C)CC3(C)CC(C)(C2)C(=O)NC3=O)c1
InChIInChI=1S/C20H26N2O3/c1-12-6-7-13(2)14(8-12)21-15(23)18(3)9-19(4)11-20(5,10-18)17(25)22-16(19)24/h6-8H,9-11H2,1-5H3,(H,21,23)(H,22,24,25)
InChIKeyUYJKNLHIFYOCCJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.10
Rot. Bonds2

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

N-(2,5-dimethylphenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (PubChem CID 4731042) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
PubChem CID4731042
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(2,5-dimethylphenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2(C)CC3(C)CC(C)(C2)C(=O)NC3=O)c1
InChIInChI=1S/C20H26N2O3/c1-12-6-7-13(2)14(8-12)21-15(23)18(3)9-19(4)11-20(5,10-18)17(25)22-16(19)24/h6-8H,9-11H2,1-5H3,(H,21,23)(H,22,24,25)
InChIKeyUYJKNLHIFYOCCJ-UHFFFAOYSA-N
XLogP3.10
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (CID 4731042) is N-(2,5-dimethylphenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is Cc1ccc(C)c(NC(=O)C2(C)CC3(C)CC(C)(C2)C(=O)NC3=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The InChIKey is UYJKNLHIFYOCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-12-6-7-13(2)14(8-12)21-15(23)18(3)9-19(4)11-20(5,10-18)17(25)22-16(19)24/h6-8H,9-11H2,1-5H3,(H,21,23)(H,22,24,25).
What are the key properties of N-(2,5-dimethylphenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
N-(2,5-dimethylphenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is sourced from PubChem (CID 4731042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).