7-[2-(4-methoxyphenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione

C15H16N2O4 — CID 115946237

IUPAC7-[2-(4-methoxyphenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCOc1ccc(CCN2C(=O)NC(=O)C3(CC3)C2=O)cc1
InChIInChI=1S/C15H16N2O4/c1-21-11-4-2-10(3-5-11)6-9-17-13(19)15(7-8-15)12(18)16-14(17)20/h2-5H,6-9H2,1H3,(H,16,18,20)
InChIKeyZEABSDGLRIHVBD-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.10
Rot. Bonds4

About 7-[2-(4-methoxyphenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione

7-[2-(4-methoxyphenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 115946237) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 7-[2-(4-methoxyphenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name7-[2-(4-methoxyphenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID115946237
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name7-[2-(4-methoxyphenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCOc1ccc(CCN2C(=O)NC(=O)C3(CC3)C2=O)cc1
InChIInChI=1S/C15H16N2O4/c1-21-11-4-2-10(3-5-11)6-9-17-13(19)15(7-8-15)12(18)16-14(17)20/h2-5H,6-9H2,1H3,(H,16,18,20)
InChIKeyZEABSDGLRIHVBD-UHFFFAOYSA-N
XLogP1.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 65444998
7-[(2-methoxyphenyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115946385
7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598884
2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 68868109
1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydroquinoxalin-2-one
CID 65446883
4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-5-one
CID 82296397
8-(4-methoxyphenyl)sulfonyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109566
1-[2-(4-methoxyphenyl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168708660
7-[3-(dimethylamino)propyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598522
7-(3-methylsulfanylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112600864
4-[2-(4-methoxyphenyl)ethyl]morpholine-2,6-dione
CID 55237705
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-methoxyphenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 7-[2-(4-methoxyphenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 115946237) is 7-[2-(4-methoxyphenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 7-[2-(4-methoxyphenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 7-[2-(4-methoxyphenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione is COc1ccc(CCN2C(=O)NC(=O)C3(CC3)C2=O)cc1.
What is the InChIKey of 7-[2-(4-methoxyphenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is ZEABSDGLRIHVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-21-11-4-2-10(3-5-11)6-9-17-13(19)15(7-8-15)12(18)16-14(17)20/h2-5H,6-9H2,1H3,(H,16,18,20).
What are the key properties of 7-[2-(4-methoxyphenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione?
7-[2-(4-methoxyphenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 288.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-methoxyphenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 115946237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).