N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-methylbenzamide

C15H17N3O3 — CID 50906876

IUPACN-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NN2C(=O)NC3(CC3(C)C)C2=O)cc1
InChIInChI=1S/C15H17N3O3/c1-9-4-6-10(7-5-9)11(19)17-18-12(20)15(16-13(18)21)8-14(15,2)3/h4-7H,8H2,1-3H3,(H,16,21)(H,17,19)
InChIKeyFTTGAPIWFQMFBY-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.36
Rot. Bonds2

About N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-methylbenzamide

N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-methylbenzamide (PubChem CID 50906876) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-methylbenzamide
PubChem CID50906876
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NN2C(=O)NC3(CC3(C)C)C2=O)cc1
InChIInChI=1S/C15H17N3O3/c1-9-4-6-10(7-5-9)11(19)17-18-12(20)15(16-13(18)21)8-14(15,2)3/h4-7H,8H2,1-3H3,(H,16,21)(H,17,19)
InChIKeyFTTGAPIWFQMFBY-UHFFFAOYSA-N
XLogP1.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-methylbenzamide 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-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-methylbenzamide?
The IUPAC name of N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-methylbenzamide (CID 50906876) is N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-methylbenzamide.
What is the SMILES notation for N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-methylbenzamide?
The canonical SMILES for N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-methylbenzamide is Cc1ccc(C(=O)NN2C(=O)NC3(CC3(C)C)C2=O)cc1.
What is the InChIKey of N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-methylbenzamide?
The InChIKey is FTTGAPIWFQMFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-4-6-10(7-5-9)11(19)17-18-12(20)15(16-13(18)21)8-14(15,2)3/h4-7H,8H2,1-3H3,(H,16,21)(H,17,19).
What are the key properties of N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-methylbenzamide?
N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-methylbenzamide has a molecular weight of 287.32 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)-4-methylbenzamide is sourced from PubChem (CID 50906876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).