4-[(6,8-dioxo-5,7-diazaspiro[2.5]octan-7-yl)methyl]-N,N-diethylbenzamide

C18H23N3O3 — CID 167742854

IUPAC4-[(6,8-dioxo-5,7-diazaspiro[2.5]octan-7-yl)methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(CN2C(=O)NCC3(CC3)C2=O)cc1
InChIInChI=1S/C18H23N3O3/c1-3-20(4-2)15(22)14-7-5-13(6-8-14)11-21-16(23)18(9-10-18)12-19-17(21)24/h5-8H,3-4,9-12H2,1-2H3,(H,19,24)
InChIKeyFQDJSIJYOWIJIH-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.00
Rot. Bonds5

About 4-[(6,8-dioxo-5,7-diazaspiro[2.5]octan-7-yl)methyl]-N,N-diethylbenzamide

4-[(6,8-dioxo-5,7-diazaspiro[2.5]octan-7-yl)methyl]-N,N-diethylbenzamide (PubChem CID 167742854) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[(6,8-dioxo-5,7-diazaspiro[2.5]octan-7-yl)methyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(6,8-dioxo-5,7-diazaspiro[2.5]octan-7-yl)methyl]-N,N-diethylbenzamide
PubChem CID167742854
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name4-[(6,8-dioxo-5,7-diazaspiro[2.5]octan-7-yl)methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(CN2C(=O)NCC3(CC3)C2=O)cc1
InChIInChI=1S/C18H23N3O3/c1-3-20(4-2)15(22)14-7-5-13(6-8-14)11-21-16(23)18(9-10-18)12-19-17(21)24/h5-8H,3-4,9-12H2,1-2H3,(H,19,24)
InChIKeyFQDJSIJYOWIJIH-UHFFFAOYSA-N
XLogP2.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(6,8-dioxo-5,7-diazaspiro[2.5]octan-7-yl)methyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[(6,8-dioxo-5,7-diazaspiro[2.5]octan-7-yl)methyl]-N,N-diethylbenzamide (CID 167742854) is 4-[(6,8-dioxo-5,7-diazaspiro[2.5]octan-7-yl)methyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(6,8-dioxo-5,7-diazaspiro[2.5]octan-7-yl)methyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(6,8-dioxo-5,7-diazaspiro[2.5]octan-7-yl)methyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(CN2C(=O)NCC3(CC3)C2=O)cc1.
What is the InChIKey of 4-[(6,8-dioxo-5,7-diazaspiro[2.5]octan-7-yl)methyl]-N,N-diethylbenzamide?
The InChIKey is FQDJSIJYOWIJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-20(4-2)15(22)14-7-5-13(6-8-14)11-21-16(23)18(9-10-18)12-19-17(21)24/h5-8H,3-4,9-12H2,1-2H3,(H,19,24).
What are the key properties of 4-[(6,8-dioxo-5,7-diazaspiro[2.5]octan-7-yl)methyl]-N,N-diethylbenzamide?
4-[(6,8-dioxo-5,7-diazaspiro[2.5]octan-7-yl)methyl]-N,N-diethylbenzamide has a molecular weight of 329.40 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,8-dioxo-5,7-diazaspiro[2.5]octan-7-yl)methyl]-N,N-diethylbenzamide is sourced from PubChem (CID 167742854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).