8-ethyl-3,8-dimethyl-2-oxo-N-[4-[3-(trifluoromethyl)phenyl]phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

C27H28F3NO3 — CID 162590777

About 8-ethyl-3,8-dimethyl-2-oxo-N-[4-[3-(trifluoromethyl)phenyl]phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

8-ethyl-3,8-dimethyl-2-oxo-N-[4-[3-(trifluoromethyl)phenyl]phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 162590777) has the molecular formula C27H28F3NO3 and a molecular weight of 471.52 g/mol. Its IUPAC name is 8-ethyl-3,8-dimethyl-2-oxo-N-[4-[3-(trifluoromethyl)phenyl]phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

• Compound Name: 8-ethyl-3,8-dimethyl-2-oxo-N-[4-[3-(trifluoromethyl)phenyl]phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
• PubChem CID: 162590777
• Molecular Formula: C27H28F3NO3
• Molecular Weight: 471.52 g/mol
• Exact Mass: 471.20
• IUPAC Name: 8-ethyl-3,8-dimethyl-2-oxo-N-[4-[3-(trifluoromethyl)phenyl]phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
• SMILES: CCC1(C)CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1
• InChI: InChI=1S/C27H28F3NO3/c1-4-25(3)12-14-26(15-13-25)22(17(2)24(33)34-26)23(32)31-21-10-8-18(9-11-21)19-6-5-7-20(16-19)27(28,29)30/h5-11,16H,4,12-15H2,1-3H3,(H,31,32)
• InChIKey: VIZIXRWFYNHMDW-UHFFFAOYSA-N
• XLogP: 6.91
• TPSA: 55.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.52
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3,8-dimethyl-2-oxo-N-[4-[3-(trifluoromethyl)phenyl]phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?

The IUPAC name of 8-ethyl-3,8-dimethyl-2-oxo-N-[4-[3-(trifluoromethyl)phenyl]phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (CID 162590777) is 8-ethyl-3,8-dimethyl-2-oxo-N-[4-[3-(trifluoromethyl)phenyl]phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.

What is the SMILES notation for 8-ethyl-3,8-dimethyl-2-oxo-N-[4-[3-(trifluoromethyl)phenyl]phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?

The canonical SMILES for 8-ethyl-3,8-dimethyl-2-oxo-N-[4-[3-(trifluoromethyl)phenyl]phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is CCC1(C)CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1.

What is the InChIKey of 8-ethyl-3,8-dimethyl-2-oxo-N-[4-[3-(trifluoromethyl)phenyl]phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?

The InChIKey is VIZIXRWFYNHMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3NO3/c1-4-25(3)12-14-26(15-13-25)22(17(2)24(33)34-26)23(32)31-21-10-8-18(9-11-21)19-6-5-7-20(16-19)27(28,29)30/h5-11,16H,4,12-15H2,1-3H3,(H,31,32).

What are the key properties of 8-ethyl-3,8-dimethyl-2-oxo-N-[4-[3-(trifluoromethyl)phenyl]phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?

8-ethyl-3,8-dimethyl-2-oxo-N-[4-[3-(trifluoromethyl)phenyl]phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 6.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-ethyl-3,8-dimethyl-2-oxo-N-[4-[3-(trifluoromethyl)phenyl]phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 162590777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).