8-methyl-9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione

C17H22N2O2 — CID 64886488

IUPAC8-methyl-9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCc1ccc(CN2C(=O)C3(CCCC3)NC(=O)C2C)cc1
InChIInChI=1S/C17H22N2O2/c1-12-5-7-14(8-6-12)11-19-13(2)15(20)18-17(16(19)21)9-3-4-10-17/h5-8,13H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyLISZUJIAHLRJJW-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.15
Rot. Bonds2

About 8-methyl-9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione

8-methyl-9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64886488) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 8-methyl-9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name8-methyl-9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64886488
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name8-methyl-9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCc1ccc(CN2C(=O)C3(CCCC3)NC(=O)C2C)cc1
InChIInChI=1S/C17H22N2O2/c1-12-5-7-14(8-6-12)11-19-13(2)15(20)18-17(16(19)21)9-3-4-10-17/h5-8,13H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyLISZUJIAHLRJJW-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 8-methyl-9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64886488) is 8-methyl-9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 8-methyl-9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 8-methyl-9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione is Cc1ccc(CN2C(=O)C3(CCCC3)NC(=O)C2C)cc1.
What is the InChIKey of 8-methyl-9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is LISZUJIAHLRJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-5-7-14(8-6-12)11-19-13(2)15(20)18-17(16(19)21)9-3-4-10-17/h5-8,13H,3-4,9-11H2,1-2H3,(H,18,20).
What are the key properties of 8-methyl-9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
8-methyl-9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 286.38 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64886488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).