[3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate

C27H31FN2O4 — CID 58436516

IUPAC[3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate
SMILESCON1CCC2(CC1)NC(=O)C(c1c(C)ccc(-c3ccc(F)cc3)c1C)=C2OC(=O)C(C)C
InChIInChI=1S/C27H31FN2O4/c1-16(2)26(32)34-24-23(25(31)29-27(24)12-14-30(33-5)15-13-27)22-17(3)6-11-21(18(22)4)19-7-9-20(28)10-8-19/h6-11,16H,12-15H2,1-5H3,(H,29,31)
InChIKeyHMSQZIKPTLXZQM-UHFFFAOYSA-N
MW466.55 g/mol
LogP4.55
Rot. Bonds5

About [3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate

[3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate (PubChem CID 58436516) has the molecular formula C27H31FN2O4 and a molecular weight of 466.55 g/mol. Its IUPAC name is [3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate.

Molecular Properties

Compound Name[3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate
PubChem CID58436516
Molecular FormulaC27H31FN2O4
Molecular Weight466.55 g/mol
Exact Mass466.23
IUPAC Name[3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate
SMILESCON1CCC2(CC1)NC(=O)C(c1c(C)ccc(-c3ccc(F)cc3)c1C)=C2OC(=O)C(C)C
InChIInChI=1S/C27H31FN2O4/c1-16(2)26(32)34-24-23(25(31)29-27(24)12-14-30(33-5)15-13-27)22-17(3)6-11-21(18(22)4)19-7-9-20(28)10-8-19/h6-11,16H,12-15H2,1-5H3,(H,29,31)
InChIKeyHMSQZIKPTLXZQM-UHFFFAOYSA-N
XLogP4.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate 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)-2,6-dimethylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate?
The IUPAC name of [3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate (CID 58436516) is [3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate.
What is the SMILES notation for [3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate?
The canonical SMILES for [3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate is CON1CCC2(CC1)NC(=O)C(c1c(C)ccc(-c3ccc(F)cc3)c1C)=C2OC(=O)C(C)C.
What is the InChIKey of [3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate?
The InChIKey is HMSQZIKPTLXZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN2O4/c1-16(2)26(32)34-24-23(25(31)29-27(24)12-14-30(33-5)15-13-27)22-17(3)6-11-21(18(22)4)19-7-9-20(28)10-8-19/h6-11,16H,12-15H2,1-5H3,(H,29,31).
What are the key properties of [3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate?
[3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate has a molecular weight of 466.55 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate is sourced from PubChem (CID 58436516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).