2-[3-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(4-methoxyphenyl)methyl]acetamide

C23H25FN4O3 — CID 20962282

IUPAC2-[3-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN2CCC3(CC2)N=C(c2ccc(F)cc2)C(=O)N3)cc1
InChIInChI=1S/C23H25FN4O3/c1-31-19-8-2-16(3-9-19)14-25-20(29)15-28-12-10-23(11-13-28)26-21(22(30)27-23)17-4-6-18(24)7-5-17/h2-9H,10-15H2,1H3,(H,25,29)(H,27,30)
InChIKeyRMZONAUCUNEQAZ-UHFFFAOYSA-N
MW424.48 g/mol
LogP1.86
Rot. Bonds6

About 2-[3-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(4-methoxyphenyl)methyl]acetamide

2-[3-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 20962282) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID20962282
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name2-[3-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN2CCC3(CC2)N=C(c2ccc(F)cc2)C(=O)N3)cc1
InChIInChI=1S/C23H25FN4O3/c1-31-19-8-2-16(3-9-19)14-25-20(29)15-28-12-10-23(11-13-28)26-21(22(30)27-23)17-4-6-18(24)7-5-17/h2-9H,10-15H2,1H3,(H,25,29)(H,27,30)
InChIKeyRMZONAUCUNEQAZ-UHFFFAOYSA-N
XLogP1.86
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 20962282) is 2-[3-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN2CCC3(CC2)N=C(c2ccc(F)cc2)C(=O)N3)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is RMZONAUCUNEQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-31-19-8-2-16(3-9-19)14-25-20(29)15-28-12-10-23(11-13-28)26-21(22(30)27-23)17-4-6-18(24)7-5-17/h2-9H,10-15H2,1H3,(H,25,29)(H,27,30).
What are the key properties of 2-[3-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[3-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 424.48 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 20962282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).