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

C14H15N3O3 — CID 50906875

IUPACN-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide
SMILESCC1(C)CC12NC(=O)N(NC(=O)c1ccccc1)C2=O
InChIInChI=1S/C14H15N3O3/c1-13(2)8-14(13)11(19)17(12(20)15-14)16-10(18)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,20)(H,16,18)
InChIKeyMANUTYSYOFPZKE-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.05
Rot. Bonds2

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

N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide (PubChem CID 50906875) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide
PubChem CID50906875
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide
SMILESCC1(C)CC12NC(=O)N(NC(=O)c1ccccc1)C2=O
InChIInChI=1S/C14H15N3O3/c1-13(2)8-14(13)11(19)17(12(20)15-14)16-10(18)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,20)(H,16,18)
InChIKeyMANUTYSYOFPZKE-UHFFFAOYSA-N
XLogP1.05
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide?
The IUPAC name of N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide (CID 50906875) is N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide.
What is the SMILES notation for N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide?
The canonical SMILES for N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide is CC1(C)CC12NC(=O)N(NC(=O)c1ccccc1)C2=O.
What is the InChIKey of N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide?
The InChIKey is MANUTYSYOFPZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-13(2)8-14(13)11(19)17(12(20)15-14)16-10(18)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,20)(H,16,18).
What are the key properties of N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide?
N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide has a molecular weight of 273.29 g/mol, XLogP of 1.05, 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)benzamide is sourced from PubChem (CID 50906875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).