N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide

C48H53FN6O6 — CID 161365092

About N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide

N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide (PubChem CID 161365092) has the molecular formula C48H53FN6O6 and a molecular weight of 828.99 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide.

Molecular Properties

• Compound Name: N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide
• PubChem CID: 161365092
• Molecular Formula: C48H53FN6O6
• Molecular Weight: 828.99 g/mol
• Exact Mass: 828.40
• IUPAC Name: N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide
• SMILES: COc1cc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC23CCCCCC3)cc(OC)c1.O=C(CN1C(=O)C(c2ccccc2)=NC12CCCCCC2)Nc1ccccc1
• InChI: InChI=1S/C25H28FN3O4.C23H25N3O2/c1-32-20-13-19(14-21(15-20)33-2)27-22(30)16-29-24(31)23(17-7-9-18(26)10-8-17)28-25(29)11-5-3-4-6-12-25;27-20(24-19-13-7-4-8-14-19)17-26-22(28)21(18-11-5-3-6-12-18)25-23(26)15-9-1-2-10-16-23/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,27,30);3-8,11-14H,1-2,9-10,15-17H2,(H,24,27)
• InChIKey: VPRZRZHZHQWPSQ-UHFFFAOYSA-N
• XLogP: 8.17
• TPSA: 142.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	828.99
LogP ≤ 5	8.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide?

The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide (CID 161365092) is N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide.

What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide?

The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide is COc1cc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC23CCCCCC3)cc(OC)c1.O=C(CN1C(=O)C(c2ccccc2)=NC12CCCCCC2)Nc1ccccc1.

What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide?

The InChIKey is VPRZRZHZHQWPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4.C23H25N3O2/c1-32-20-13-19(14-21(15-20)33-2)27-22(30)16-29-24(31)23(17-7-9-18(26)10-8-17)28-25(29)11-5-3-4-6-12-25;27-20(24-19-13-7-4-8-14-19)17-26-22(28)21(18-11-5-3-6-12-18)25-23(26)15-9-1-2-10-16-23/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,27,30);3-8,11-14H,1-2,9-10,15-17H2,(H,24,27).

What are the key properties of N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide?

N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide has a molecular weight of 828.99 g/mol, XLogP of 8.17, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide is sourced from PubChem (CID 161365092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).