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

C18H23N3O3 — CID 50906878

IUPAC4-tert-butyl-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NN2C(=O)NC3(CC3(C)C)C2=O)cc1
InChIInChI=1S/C18H23N3O3/c1-16(2,3)12-8-6-11(7-9-12)13(22)20-21-14(23)18(19-15(21)24)10-17(18,4)5/h6-9H,10H2,1-5H3,(H,19,24)(H,20,22)
InChIKeyFFVXCUFOMLVYKI-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.35
Rot. Bonds2

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

4-tert-butyl-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide (PubChem CID 50906878) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide
PubChem CID50906878
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name4-tert-butyl-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NN2C(=O)NC3(CC3(C)C)C2=O)cc1
InChIInChI=1S/C18H23N3O3/c1-16(2,3)12-8-6-11(7-9-12)13(22)20-21-14(23)18(19-15(21)24)10-17(18,4)5/h6-9H,10H2,1-5H3,(H,19,24)(H,20,22)
InChIKeyFFVXCUFOMLVYKI-UHFFFAOYSA-N
XLogP2.35
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.35
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 4-tert-butyl-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide (CID 50906878) is 4-tert-butyl-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide is CC(C)(C)c1ccc(C(=O)NN2C(=O)NC3(CC3(C)C)C2=O)cc1.
What is the InChIKey of 4-tert-butyl-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide?
The InChIKey is FFVXCUFOMLVYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-16(2,3)12-8-6-11(7-9-12)13(22)20-21-14(23)18(19-15(21)24)10-17(18,4)5/h6-9H,10H2,1-5H3,(H,19,24)(H,20,22).
What are the key properties of 4-tert-butyl-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide?
4-tert-butyl-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide has a molecular weight of 329.40 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,2-dimethyl-5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)benzamide is sourced from PubChem (CID 50906878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).