8-[2-(2-methylphenyl)acetyl]-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one

C21H24N4O2 — CID 91890948

IUPAC8-[2-(2-methylphenyl)acetyl]-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one
SMILESCc1ccccc1CC(=O)N1CCC2(CC1)NC(=O)N(c1ccccc1)N2
InChIInChI=1S/C21H24N4O2/c1-16-7-5-6-8-17(16)15-19(26)24-13-11-21(12-14-24)22-20(27)25(23-21)18-9-3-2-4-10-18/h2-10,23H,11-15H2,1H3,(H,22,27)
InChIKeyOFPPMWKGBIRSGT-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.59
Rot. Bonds3

About 8-[2-(2-methylphenyl)acetyl]-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one

8-[2-(2-methylphenyl)acetyl]-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one (PubChem CID 91890948) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 8-[2-(2-methylphenyl)acetyl]-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[2-(2-methylphenyl)acetyl]-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one
PubChem CID91890948
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name8-[2-(2-methylphenyl)acetyl]-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one
SMILESCc1ccccc1CC(=O)N1CCC2(CC1)NC(=O)N(c1ccccc1)N2
InChIInChI=1S/C21H24N4O2/c1-16-7-5-6-8-17(16)15-19(26)24-13-11-21(12-14-24)22-20(27)25(23-21)18-9-3-2-4-10-18/h2-10,23H,11-15H2,1H3,(H,22,27)
InChIKeyOFPPMWKGBIRSGT-UHFFFAOYSA-N
XLogP2.59
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-methylphenyl)acetyl]-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[2-(2-methylphenyl)acetyl]-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one (CID 91890948) is 8-[2-(2-methylphenyl)acetyl]-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[2-(2-methylphenyl)acetyl]-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[2-(2-methylphenyl)acetyl]-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one is Cc1ccccc1CC(=O)N1CCC2(CC1)NC(=O)N(c1ccccc1)N2.
What is the InChIKey of 8-[2-(2-methylphenyl)acetyl]-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
The InChIKey is OFPPMWKGBIRSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16-7-5-6-8-17(16)15-19(26)24-13-11-21(12-14-24)22-20(27)25(23-21)18-9-3-2-4-10-18/h2-10,23H,11-15H2,1H3,(H,22,27).
What are the key properties of 8-[2-(2-methylphenyl)acetyl]-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
8-[2-(2-methylphenyl)acetyl]-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one has a molecular weight of 364.45 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-methylphenyl)acetyl]-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91890948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).