8-[3-(4-ethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C18H23N3O4 — CID 56798699

IUPAC8-[3-(4-ethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCOc1ccc(CCC(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1
InChIInChI=1S/C18H23N3O4/c1-2-25-14-6-3-13(4-7-14)5-8-15(22)21-11-9-18(10-12-21)16(23)19-17(24)20-18/h3-4,6-7H,2,5,8-12H2,1H3,(H2,19,20,23,24)
InChIKeyLYXUTXVIFRZYKB-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.22
Rot. Bonds5

About 8-[3-(4-ethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[3-(4-ethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 56798699) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 8-[3-(4-ethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[3-(4-ethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID56798699
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name8-[3-(4-ethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCOc1ccc(CCC(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1
InChIInChI=1S/C18H23N3O4/c1-2-25-14-6-3-13(4-7-14)5-8-15(22)21-11-9-18(10-12-21)16(23)19-17(24)20-18/h3-4,6-7H,2,5,8-12H2,1H3,(H2,19,20,23,24)
InChIKeyLYXUTXVIFRZYKB-UHFFFAOYSA-N
XLogP1.22
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-[4-(4-fluorophenoxy)butanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 56807566
8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109419
6-[3-(4-ethoxyphenyl)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174466
1-[3-(4-ethoxyphenyl)propanoyl]piperidin-3-one
CID 112536102
3-(4-ethoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
CID 112536917
2,4-dioxo-N-(4-propylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 138005736
8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47017588
8-[3-(1-methyltriazol-4-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166398495
3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 67299157
3-(4-ethoxyphenyl)-1-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 128981286
8-(4-aminobutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 54873031
8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 54873032

Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-ethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[3-(4-ethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 56798699) is 8-[3-(4-ethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[3-(4-ethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[3-(4-ethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCOc1ccc(CCC(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1.
What is the InChIKey of 8-[3-(4-ethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is LYXUTXVIFRZYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-2-25-14-6-3-13(4-7-14)5-8-15(22)21-11-9-18(10-12-21)16(23)19-17(24)20-18/h3-4,6-7H,2,5,8-12H2,1H3,(H2,19,20,23,24).
What are the key properties of 8-[3-(4-ethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[3-(4-ethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 345.40 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-ethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 56798699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).