tert-butyl N-[2-fluoro-5-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate

C24H33FN4O5 — CID 55767797

About tert-butyl N-[2-fluoro-5-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate

tert-butyl N-[2-fluoro-5-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate (PubChem CID 55767797) has the molecular formula C24H33FN4O5 and a molecular weight of 476.55 g/mol. Its IUPAC name is tert-butyl N-[2-fluoro-5-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-fluoro-5-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate
• PubChem CID: 55767797
• Molecular Formula: C24H33FN4O5
• Molecular Weight: 476.55 g/mol
• Exact Mass: 476.24
• IUPAC Name: tert-butyl N-[2-fluoro-5-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate
• SMILES: CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1)C2=O
• InChI: InChI=1S/C24H33FN4O5/c1-14-10-23(5,6)13-24(11-14)19(31)29(20(32)28-24)12-18(30)26-15-7-8-16(25)17(9-15)27-21(33)34-22(2,3)4/h7-9,14H,10-13H2,1-6H3,(H,26,30)(H,27,33)(H,28,32)
• InChIKey: QIFLJAHEAZTMJJ-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 116.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.55
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-fluoro-5-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate?

The IUPAC name of tert-butyl N-[2-fluoro-5-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate (CID 55767797) is tert-butyl N-[2-fluoro-5-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-fluoro-5-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate?

The canonical SMILES for tert-butyl N-[2-fluoro-5-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate is CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1)C2=O.

What is the InChIKey of tert-butyl N-[2-fluoro-5-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate?

The InChIKey is QIFLJAHEAZTMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN4O5/c1-14-10-23(5,6)13-24(11-14)19(31)29(20(32)28-24)12-18(30)26-15-7-8-16(25)17(9-15)27-21(33)34-22(2,3)4/h7-9,14H,10-13H2,1-6H3,(H,26,30)(H,27,33)(H,28,32).

What are the key properties of tert-butyl N-[2-fluoro-5-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate?

tert-butyl N-[2-fluoro-5-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate has a molecular weight of 476.55 g/mol, XLogP of 4.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-fluoro-5-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate is sourced from PubChem (CID 55767797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).