2-(3,5-difluorophenyl)-2-[2-[4-(1-methoxyethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide

C25H27F2N3O3 — CID 90774486

IUPAC2-(3,5-difluorophenyl)-2-[2-[4-(1-methoxyethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
SMILESCOC(C)c1ccc(C2=NC3(CCCCC3)N(C(C(N)=O)c3cc(F)cc(F)c3)C2=O)cc1
InChIInChI=1S/C25H27F2N3O3/c1-15(33-2)16-6-8-17(9-7-16)21-24(32)30(25(29-21)10-4-3-5-11-25)22(23(28)31)18-12-19(26)14-20(27)13-18/h6-9,12-15,22H,3-5,10-11H2,1-2H3,(H2,28,31)
InChIKeyCAUVNSAICVOBTK-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.19
Rot. Bonds6

About 2-(3,5-difluorophenyl)-2-[2-[4-(1-methoxyethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide

2-(3,5-difluorophenyl)-2-[2-[4-(1-methoxyethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide (PubChem CID 90774486) has the molecular formula C25H27F2N3O3 and a molecular weight of 455.51 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-2-[2-[4-(1-methoxyethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-2-[2-[4-(1-methoxyethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
PubChem CID90774486
Molecular FormulaC25H27F2N3O3
Molecular Weight455.51 g/mol
Exact Mass455.20
IUPAC Name2-(3,5-difluorophenyl)-2-[2-[4-(1-methoxyethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
SMILESCOC(C)c1ccc(C2=NC3(CCCCC3)N(C(C(N)=O)c3cc(F)cc(F)c3)C2=O)cc1
InChIInChI=1S/C25H27F2N3O3/c1-15(33-2)16-6-8-17(9-7-16)21-24(32)30(25(29-21)10-4-3-5-11-25)22(23(28)31)18-12-19(26)14-20(27)13-18/h6-9,12-15,22H,3-5,10-11H2,1-2H3,(H2,28,31)
InChIKeyCAUVNSAICVOBTK-UHFFFAOYSA-N
XLogP4.19
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-2-[2-[4-(1-methoxyethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-2-[2-[4-(1-methoxyethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide (CID 90774486) is 2-(3,5-difluorophenyl)-2-[2-[4-(1-methoxyethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-2-[2-[4-(1-methoxyethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-2-[2-[4-(1-methoxyethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide is COC(C)c1ccc(C2=NC3(CCCCC3)N(C(C(N)=O)c3cc(F)cc(F)c3)C2=O)cc1.
What is the InChIKey of 2-(3,5-difluorophenyl)-2-[2-[4-(1-methoxyethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The InChIKey is CAUVNSAICVOBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N3O3/c1-15(33-2)16-6-8-17(9-7-16)21-24(32)30(25(29-21)10-4-3-5-11-25)22(23(28)31)18-12-19(26)14-20(27)13-18/h6-9,12-15,22H,3-5,10-11H2,1-2H3,(H2,28,31).
What are the key properties of 2-(3,5-difluorophenyl)-2-[2-[4-(1-methoxyethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
2-(3,5-difluorophenyl)-2-[2-[4-(1-methoxyethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide has a molecular weight of 455.51 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-2-[2-[4-(1-methoxyethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide is sourced from PubChem (CID 90774486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).