7-(4-butylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

C16H18N2O3 — CID 115946746

IUPAC7-(4-butylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCCCCc1ccc(N2C(=O)NC(=O)C3(CC3)C2=O)cc1
InChIInChI=1S/C16H18N2O3/c1-2-3-4-11-5-7-12(8-6-11)18-14(20)16(9-10-16)13(19)17-15(18)21/h5-8H,2-4,9-10H2,1H3,(H,17,19,21)
InChIKeyRDWDSUZOWSXPHU-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.39
Rot. Bonds4

About 7-(4-butylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

7-(4-butylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 115946746) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 7-(4-butylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name7-(4-butylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID115946746
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name7-(4-butylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCCCCc1ccc(N2C(=O)NC(=O)C3(CC3)C2=O)cc1
InChIInChI=1S/C16H18N2O3/c1-2-3-4-11-5-7-12(8-6-11)18-14(20)16(9-10-16)13(19)17-15(18)21/h5-8H,2-4,9-10H2,1H3,(H,17,19,21)
InChIKeyRDWDSUZOWSXPHU-UHFFFAOYSA-N
XLogP2.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112598541
1-(4-butylphenyl)-3,4-diiodopyrrole-2,5-dione
CID 100958944
7-(4-bromo-3-methylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598960
2-(4-butylphenyl)-4,5,6,7-tetrachloroisoindole-1,3-dione
CID 23991028
1-(4-butylphenyl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64960648
9-(6-methyl-3-pyridinyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948843
7-[2-(4-methoxyphenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115946237
1-(4-butylphenyl)-2-sulfanylidene-1,3-diazinan-4-one
CID 76943148
3-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 117062788
(3R)-3-(4-butylanilino)-1-(4-butylphenyl)pyrrolidine-2,5-dione
CID 98395221
3,6-bis(4-butylphenyl)-1,2,4,5-tetraoxane
CID 44573810
13-(4-butylphenyl)-6-(4-tert-butylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 59809407

Frequently Asked Questions

What is the IUPAC name of 7-(4-butylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 7-(4-butylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 115946746) is 7-(4-butylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 7-(4-butylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 7-(4-butylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is CCCCc1ccc(N2C(=O)NC(=O)C3(CC3)C2=O)cc1.
What is the InChIKey of 7-(4-butylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is RDWDSUZOWSXPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-3-4-11-5-7-12(8-6-11)18-14(20)16(9-10-16)13(19)17-15(18)21/h5-8H,2-4,9-10H2,1H3,(H,17,19,21).
What are the key properties of 7-(4-butylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
7-(4-butylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 286.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-butylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 115946746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).