1-benzyl-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C18H23N3O4 — CID 165418293

IUPAC1-benzyl-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCOCC(=O)N1CCC2(CC1)C(=O)NC(=O)N2Cc1ccccc1
InChIInChI=1S/C18H23N3O4/c1-2-25-13-15(22)20-10-8-18(9-11-20)16(23)19-17(24)21(18)12-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,19,23,24)
InChIKeyXJLISFHEZKBWIC-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.14
Rot. Bonds5

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

1-benzyl-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 165418293) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-benzyl-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-benzyl-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID165418293
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name1-benzyl-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCOCC(=O)N1CCC2(CC1)C(=O)NC(=O)N2Cc1ccccc1
InChIInChI=1S/C18H23N3O4/c1-2-25-13-15(22)20-10-8-18(9-11-20)16(23)19-17(24)21(18)12-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,19,23,24)
InChIKeyXJLISFHEZKBWIC-UHFFFAOYSA-N
XLogP1.14
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-8-[2-(2-oxopyrimidin-1-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165417874
1-benzyl-8-(cyclobutanecarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165427416
1-benzyl-8-(1,2-oxazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165424928
1-benzyl-8-[4-(1,2,4-triazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165419853
1-benzyl-8-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165427848
8-[2-(1H-benzimidazol-2-ylmethoxy)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165421028
8-(2-ethoxyacetyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98896665
1-benzyl-8-morpholin-4-ylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165418331
2-benzyl-9-(2-propoxyacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72847825
8-(2-ethoxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72927226
8-(2-ethoxyacetyl)-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166624209
1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyethanone
CID 3235224

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-benzyl-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 165418293) is 1-benzyl-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-benzyl-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-benzyl-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCOCC(=O)N1CCC2(CC1)C(=O)NC(=O)N2Cc1ccccc1.
What is the InChIKey of 1-benzyl-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is XJLISFHEZKBWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-2-25-13-15(22)20-10-8-18(9-11-20)16(23)19-17(24)21(18)12-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,19,23,24).
What are the key properties of 1-benzyl-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-benzyl-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 345.40 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 165418293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).