2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide

C23H25FN4O3 — CID 16896728

IUPAC2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCN(Cc3ccccc3)CC2)C1=O)NCc1ccc(F)cc1
InChIInChI=1S/C23H25FN4O3/c24-19-8-6-17(7-9-19)14-25-20(29)16-28-21(30)23(26-22(28)31)10-12-27(13-11-23)15-18-4-2-1-3-5-18/h1-9H,10-16H2,(H,25,29)(H,26,31)
InChIKeyNDAQSVRPUKNCEU-UHFFFAOYSA-N
MW424.48 g/mol
LogP2.03
Rot. Bonds6

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

2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 16896728) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is 2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID16896728
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCN(Cc3ccccc3)CC2)C1=O)NCc1ccc(F)cc1
InChIInChI=1S/C23H25FN4O3/c24-19-8-6-17(7-9-19)14-25-20(29)16-28-21(30)23(26-22(28)31)10-12-27(13-11-23)15-18-4-2-1-3-5-18/h1-9H,10-16H2,(H,25,29)(H,26,31)
InChIKeyNDAQSVRPUKNCEU-UHFFFAOYSA-N
XLogP2.03
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 16896728) is 2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide is O=C(CN1C(=O)NC2(CCN(Cc3ccccc3)CC2)C1=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is NDAQSVRPUKNCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c24-19-8-6-17(7-9-19)14-25-20(29)16-28-21(30)23(26-22(28)31)10-12-27(13-11-23)15-18-4-2-1-3-5-18/h1-9H,10-16H2,(H,25,29)(H,26,31).
What are the key properties of 2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 424.48 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 16896728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).