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

C21H27FN2O3 — CID 16668654

IUPAC8-(2,2-dimethylpropanoyl)-2-ethyl-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESCCN1C(=O)C(c2ccc(F)cc2)C2(CCN(C(=O)C(C)(C)C)CC2)C1=O
InChIInChI=1S/C21H27FN2O3/c1-5-24-17(25)16(14-6-8-15(22)9-7-14)21(19(24)27)10-12-23(13-11-21)18(26)20(2,3)4/h6-9,16H,5,10-13H2,1-4H3
InChIKeyLUJZKTQRDZYYMW-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.95
Rot. Bonds2

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

8-(2,2-dimethylpropanoyl)-2-ethyl-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decane-1,3-dione (PubChem CID 16668654) has the molecular formula C21H27FN2O3 and a molecular weight of 374.46 g/mol. Its IUPAC name is 8-(2,2-dimethylpropanoyl)-2-ethyl-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name8-(2,2-dimethylpropanoyl)-2-ethyl-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decane-1,3-dione
PubChem CID16668654
Molecular FormulaC21H27FN2O3
Molecular Weight374.46 g/mol
Exact Mass374.20
IUPAC Name8-(2,2-dimethylpropanoyl)-2-ethyl-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESCCN1C(=O)C(c2ccc(F)cc2)C2(CCN(C(=O)C(C)(C)C)CC2)C1=O
InChIInChI=1S/C21H27FN2O3/c1-5-24-17(25)16(14-6-8-15(22)9-7-14)21(19(24)27)10-12-23(13-11-21)18(26)20(2,3)4/h6-9,16H,5,10-13H2,1-4H3
InChIKeyLUJZKTQRDZYYMW-UHFFFAOYSA-N
XLogP2.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.95
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 8-(2,2-dimethylpropanoyl)-2-ethyl-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decane-1,3-dione?
The IUPAC name of 8-(2,2-dimethylpropanoyl)-2-ethyl-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decane-1,3-dione (CID 16668654) is 8-(2,2-dimethylpropanoyl)-2-ethyl-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 8-(2,2-dimethylpropanoyl)-2-ethyl-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 8-(2,2-dimethylpropanoyl)-2-ethyl-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decane-1,3-dione is CCN1C(=O)C(c2ccc(F)cc2)C2(CCN(C(=O)C(C)(C)C)CC2)C1=O.
What is the InChIKey of 8-(2,2-dimethylpropanoyl)-2-ethyl-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decane-1,3-dione?
The InChIKey is LUJZKTQRDZYYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3/c1-5-24-17(25)16(14-6-8-15(22)9-7-14)21(19(24)27)10-12-23(13-11-21)18(26)20(2,3)4/h6-9,16H,5,10-13H2,1-4H3.
What are the key properties of 8-(2,2-dimethylpropanoyl)-2-ethyl-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decane-1,3-dione?
8-(2,2-dimethylpropanoyl)-2-ethyl-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decane-1,3-dione has a molecular weight of 374.46 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-dimethylpropanoyl)-2-ethyl-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 16668654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).