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

C25H27F2N3O3 — CID 24987593

IUPACN-(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(CC(=O)Nc3cc(F)cc(F)c3)C2=O)cc1
InChIInChI=1S/C25H27F2N3O3/c1-16(33-2)17-6-8-18(9-7-17)23-24(32)30(25(29-23)10-4-3-5-11-25)15-22(31)28-21-13-19(26)12-20(27)14-21/h6-9,12-14,16H,3-5,10-11,15H2,1-2H3,(H,28,31)
InChIKeyPZUHCKILXLLTRL-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.60
Rot. Bonds6

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

N-(3,5-difluorophenyl)-2-[2-[4-(1-methoxyethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide (PubChem CID 24987593) has the molecular formula C25H27F2N3O3 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-(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 NameN-(3,5-difluorophenyl)-2-[2-[4-(1-methoxyethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
PubChem CID24987593
Molecular FormulaC25H27F2N3O3
Molecular Weight455.51 g/mol
Exact Mass455.20
IUPAC NameN-(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(CC(=O)Nc3cc(F)cc(F)c3)C2=O)cc1
InChIInChI=1S/C25H27F2N3O3/c1-16(33-2)17-6-8-18(9-7-17)23-24(32)30(25(29-23)10-4-3-5-11-25)15-22(31)28-21-13-19(26)12-20(27)14-21/h6-9,12-14,16H,3-5,10-11,15H2,1-2H3,(H,28,31)
InChIKeyPZUHCKILXLLTRL-UHFFFAOYSA-N
XLogP4.60
TPSA71.00 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 ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(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 N-(3,5-difluorophenyl)-2-[2-[4-(1-methoxyethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide (CID 24987593) is N-(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 N-(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 N-(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(CC(=O)Nc3cc(F)cc(F)c3)C2=O)cc1.
What is the InChIKey of N-(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 PZUHCKILXLLTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N3O3/c1-16(33-2)17-6-8-18(9-7-17)23-24(32)30(25(29-23)10-4-3-5-11-25)15-22(31)28-21-13-19(26)12-20(27)14-21/h6-9,12-14,16H,3-5,10-11,15H2,1-2H3,(H,28,31).
What are the key properties of N-(3,5-difluorophenyl)-2-[2-[4-(1-methoxyethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
N-(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 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(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 24987593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).