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

C18H23FN4O3 — CID 16896718

IUPAC2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(3-fluorophenyl)acetamide
SMILESCCCN1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(F)c1)C2=O
InChIInChI=1S/C18H23FN4O3/c1-2-8-22-9-6-18(7-10-22)16(25)23(17(26)21-18)12-15(24)20-14-5-3-4-13(19)11-14/h3-5,11H,2,6-10,12H2,1H3,(H,20,24)(H,21,26)
InChIKeyGNVAWRQWGDHRBM-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.56
Rot. Bonds5

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

2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(3-fluorophenyl)acetamide (PubChem CID 16896718) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(3-fluorophenyl)acetamide
PubChem CID16896718
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(3-fluorophenyl)acetamide
SMILESCCCN1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(F)c1)C2=O
InChIInChI=1S/C18H23FN4O3/c1-2-8-22-9-6-18(7-10-22)16(25)23(17(26)21-18)12-15(24)20-14-5-3-4-13(19)11-14/h3-5,11H,2,6-10,12H2,1H3,(H,20,24)(H,21,26)
InChIKeyGNVAWRQWGDHRBM-UHFFFAOYSA-N
XLogP1.56
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.56
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-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(3-fluorophenyl)acetamide (CID 16896718) is 2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(3-fluorophenyl)acetamide is CCCN1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(F)c1)C2=O.
What is the InChIKey of 2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(3-fluorophenyl)acetamide?
The InChIKey is GNVAWRQWGDHRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-2-8-22-9-6-18(7-10-22)16(25)23(17(26)21-18)12-15(24)20-14-5-3-4-13(19)11-14/h3-5,11H,2,6-10,12H2,1H3,(H,20,24)(H,21,26).
What are the key properties of 2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(3-fluorophenyl)acetamide?
2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(3-fluorophenyl)acetamide has a molecular weight of 362.41 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 16896718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).