N-[[3-[3-fluoro-4-(2-methyl-5-oxo-2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C22H29FN4O4 — CID 68719622

About N-[[3-[3-fluoro-4-(2-methyl-5-oxo-2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[3-fluoro-4-(2-methyl-5-oxo-2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 68719622) has the molecular formula C22H29FN4O4 and a molecular weight of 432.50 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-(2-methyl-5-oxo-2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[3-[3-fluoro-4-(2-methyl-5-oxo-2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 68719622
• Molecular Formula: C22H29FN4O4
• Molecular Weight: 432.50 g/mol
• Exact Mass: 432.22
• IUPAC Name: N-[[3-[3-fluoro-4-(2-methyl-5-oxo-2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NCC1CN(c2ccc(N3CCC4(CC3)CN(C)CCC4=O)c(F)c2)C(=O)O1
• InChI: InChI=1S/C22H29FN4O4/c1-15(28)24-12-17-13-27(21(30)31-17)16-3-4-19(18(23)11-16)26-9-6-22(7-10-26)14-25(2)8-5-20(22)29/h3-4,11,17H,5-10,12-14H2,1-2H3,(H,24,28)
• InChIKey: NKGXEPXXVVBPKC-UHFFFAOYSA-N
• XLogP: 1.78
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.50
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-(2-methyl-5-oxo-2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[3-[3-fluoro-4-(2-methyl-5-oxo-2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 68719622) is N-[[3-[3-fluoro-4-(2-methyl-5-oxo-2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[3-[3-fluoro-4-(2-methyl-5-oxo-2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[3-[3-fluoro-4-(2-methyl-5-oxo-2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(N3CCC4(CC3)CN(C)CCC4=O)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[3-[3-fluoro-4-(2-methyl-5-oxo-2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is NKGXEPXXVVBPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O4/c1-15(28)24-12-17-13-27(21(30)31-17)16-3-4-19(18(23)11-16)26-9-6-22(7-10-26)14-25(2)8-5-20(22)29/h3-4,11,17H,5-10,12-14H2,1-2H3,(H,24,28).

What are the key properties of N-[[3-[3-fluoro-4-(2-methyl-5-oxo-2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[3-[3-fluoro-4-(2-methyl-5-oxo-2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 432.50 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[3-fluoro-4-(2-methyl-5-oxo-2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 68719622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).