2-ethyl-4-(4-fluorophenyl)-8-(2-methylpropanoyl)-2,8-diazaspiro[4.5]decane-1,3-dione

C20H25FN2O3 — CID 16674243

IUPAC2-ethyl-4-(4-fluorophenyl)-8-(2-methylpropanoyl)-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESCCN1C(=O)C(c2ccc(F)cc2)C2(CCN(C(=O)C(C)C)CC2)C1=O
InChIInChI=1S/C20H25FN2O3/c1-4-23-18(25)16(14-5-7-15(21)8-6-14)20(19(23)26)9-11-22(12-10-20)17(24)13(2)3/h5-8,13,16H,4,9-12H2,1-3H3
InChIKeyVWYIKUJQXZQYPF-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.56
Rot. Bonds3

About 2-ethyl-4-(4-fluorophenyl)-8-(2-methylpropanoyl)-2,8-diazaspiro[4.5]decane-1,3-dione

2-ethyl-4-(4-fluorophenyl)-8-(2-methylpropanoyl)-2,8-diazaspiro[4.5]decane-1,3-dione (PubChem CID 16674243) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is 2-ethyl-4-(4-fluorophenyl)-8-(2-methylpropanoyl)-2,8-diazaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-ethyl-4-(4-fluorophenyl)-8-(2-methylpropanoyl)-2,8-diazaspiro[4.5]decane-1,3-dione
PubChem CID16674243
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name2-ethyl-4-(4-fluorophenyl)-8-(2-methylpropanoyl)-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESCCN1C(=O)C(c2ccc(F)cc2)C2(CCN(C(=O)C(C)C)CC2)C1=O
InChIInChI=1S/C20H25FN2O3/c1-4-23-18(25)16(14-5-7-15(21)8-6-14)20(19(23)26)9-11-22(12-10-20)17(24)13(2)3/h5-8,13,16H,4,9-12H2,1-3H3
InChIKeyVWYIKUJQXZQYPF-UHFFFAOYSA-N
XLogP2.56
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-fluorophenyl)-8-(2-methylpropanoyl)-2,8-diazaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-ethyl-4-(4-fluorophenyl)-8-(2-methylpropanoyl)-2,8-diazaspiro[4.5]decane-1,3-dione (CID 16674243) is 2-ethyl-4-(4-fluorophenyl)-8-(2-methylpropanoyl)-2,8-diazaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-ethyl-4-(4-fluorophenyl)-8-(2-methylpropanoyl)-2,8-diazaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-ethyl-4-(4-fluorophenyl)-8-(2-methylpropanoyl)-2,8-diazaspiro[4.5]decane-1,3-dione is CCN1C(=O)C(c2ccc(F)cc2)C2(CCN(C(=O)C(C)C)CC2)C1=O.
What is the InChIKey of 2-ethyl-4-(4-fluorophenyl)-8-(2-methylpropanoyl)-2,8-diazaspiro[4.5]decane-1,3-dione?
The InChIKey is VWYIKUJQXZQYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-4-23-18(25)16(14-5-7-15(21)8-6-14)20(19(23)26)9-11-22(12-10-20)17(24)13(2)3/h5-8,13,16H,4,9-12H2,1-3H3.
What are the key properties of 2-ethyl-4-(4-fluorophenyl)-8-(2-methylpropanoyl)-2,8-diazaspiro[4.5]decane-1,3-dione?
2-ethyl-4-(4-fluorophenyl)-8-(2-methylpropanoyl)-2,8-diazaspiro[4.5]decane-1,3-dione has a molecular weight of 360.43 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(4-fluorophenyl)-8-(2-methylpropanoyl)-2,8-diazaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 16674243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).