2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C21H27FN4O3 — CID 8905929

About 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 8905929) has the molecular formula C21H27FN4O3 and a molecular weight of 402.47 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
• PubChem CID: 8905929
• Molecular Formula: C21H27FN4O3
• Molecular Weight: 402.47 g/mol
• Exact Mass: 402.21
• IUPAC Name: 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
• SMILES: CC1CCC2(CC1)NC(=O)N(NC(=O)CN(Cc1ccc(F)cc1)C1CC1)C2=O
• InChI: InChI=1S/C21H27FN4O3/c1-14-8-10-21(11-9-14)19(28)26(20(29)23-21)24-18(27)13-25(17-6-7-17)12-15-2-4-16(22)5-3-15/h2-5,14,17H,6-13H2,1H3,(H,23,29)(H,24,27)
• InChIKey: FHDHZHPYLNOLRL-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.47
LogP ≤ 5	2.32
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 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The IUPAC name of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 8905929) is 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

What is the SMILES notation for 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The canonical SMILES for 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC1CCC2(CC1)NC(=O)N(NC(=O)CN(Cc1ccc(F)cc1)C1CC1)C2=O.

What is the InChIKey of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The InChIKey is FHDHZHPYLNOLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O3/c1-14-8-10-21(11-9-14)19(28)26(20(29)23-21)24-18(27)13-25(17-6-7-17)12-15-2-4-16(22)5-3-15/h2-5,14,17H,6-13H2,1H3,(H,23,29)(H,24,27).

What are the key properties of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 402.47 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 8905929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).