3-[3-(4-fluorophenyl)propyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione

C21H24FNO3 — CID 142301855

IUPAC3-[3-(4-fluorophenyl)propyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
SMILESCC(C)N1C(=O)C(CCCc2ccc(F)cc2)COC12C=CC(=O)C=C2
InChIInChI=1S/C21H24FNO3/c1-15(2)23-20(25)17(5-3-4-16-6-8-18(22)9-7-16)14-26-21(23)12-10-19(24)11-13-21/h6-13,15,17H,3-5,14H2,1-2H3
InChIKeyDZFKQFLMZOPPNF-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.42
Rot. Bonds5

About 3-[3-(4-fluorophenyl)propyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione

3-[3-(4-fluorophenyl)propyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione (PubChem CID 142301855) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)propyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)propyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
PubChem CID142301855
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC Name3-[3-(4-fluorophenyl)propyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
SMILESCC(C)N1C(=O)C(CCCc2ccc(F)cc2)COC12C=CC(=O)C=C2
InChIInChI=1S/C21H24FNO3/c1-15(2)23-20(25)17(5-3-4-16-6-8-18(22)9-7-16)14-26-21(23)12-10-19(24)11-13-21/h6-13,15,17H,3-5,14H2,1-2H3
InChIKeyDZFKQFLMZOPPNF-UHFFFAOYSA-N
XLogP3.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[3-(4-fluorophenyl)propyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)propyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
The IUPAC name of 3-[3-(4-fluorophenyl)propyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione (CID 142301855) is 3-[3-(4-fluorophenyl)propyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione.
What is the SMILES notation for 3-[3-(4-fluorophenyl)propyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
The canonical SMILES for 3-[3-(4-fluorophenyl)propyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione is CC(C)N1C(=O)C(CCCc2ccc(F)cc2)COC12C=CC(=O)C=C2.
What is the InChIKey of 3-[3-(4-fluorophenyl)propyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
The InChIKey is DZFKQFLMZOPPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c1-15(2)23-20(25)17(5-3-4-16-6-8-18(22)9-7-16)14-26-21(23)12-10-19(24)11-13-21/h6-13,15,17H,3-5,14H2,1-2H3.
What are the key properties of 3-[3-(4-fluorophenyl)propyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
3-[3-(4-fluorophenyl)propyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione has a molecular weight of 357.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)propyl]-5-propan-2-yl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione is sourced from PubChem (CID 142301855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).