(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]propanamide

C20H26FN3O4 — CID 97251844

About (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]propanamide

(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]propanamide (PubChem CID 97251844) has the molecular formula C20H26FN3O4 and a molecular weight of 391.44 g/mol. Its IUPAC name is (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
• PubChem CID: 97251844
• Molecular Formula: C20H26FN3O4
• Molecular Weight: 391.44 g/mol
• Exact Mass: 391.19
• IUPAC Name: (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
• SMILES: C[C@@H](C(=O)Nc1ccc(F)cc1OC(C)(C)C)N1C(=O)NC2(CCCC2)C1=O
• InChI: InChI=1S/C20H26FN3O4/c1-12(24-17(26)20(23-18(24)27)9-5-6-10-20)16(25)22-14-8-7-13(21)11-15(14)28-19(2,3)4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,22,25)(H,23,27)/t12-/m0/s1
• InChIKey: CLXHVLRAUVTGOE-LBPRGKRZSA-N
• XLogP: 3.19
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.44
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]propanamide?

The IUPAC name of (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]propanamide (CID 97251844) is (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]propanamide.

What is the SMILES notation for (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]propanamide?

The canonical SMILES for (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]propanamide is C[C@@H](C(=O)Nc1ccc(F)cc1OC(C)(C)C)N1C(=O)NC2(CCCC2)C1=O.

What is the InChIKey of (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]propanamide?

The InChIKey is CLXHVLRAUVTGOE-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H26FN3O4/c1-12(24-17(26)20(23-18(24)27)9-5-6-10-20)16(25)22-14-8-7-13(21)11-15(14)28-19(2,3)4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,22,25)(H,23,27)/t12-/m0/s1.

What are the key properties of (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]propanamide?

(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]propanamide has a molecular weight of 391.44 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]propanamide is sourced from PubChem (CID 97251844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).