3-[(2,5-dimethylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

C18H24N2O2 — CID 2662563

IUPAC3-[(2,5-dimethylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCc1ccc(C)c(CN2C(=O)NC3(CCCCCC3)C2=O)c1
InChIInChI=1S/C18H24N2O2/c1-13-7-8-14(2)15(11-13)12-20-16(21)18(19-17(20)22)9-5-3-4-6-10-18/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,19,22)
InChIKeyFKRCJRUBEOOKLO-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.45
Rot. Bonds2

About 3-[(2,5-dimethylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

3-[(2,5-dimethylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 2662563) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID2662563
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-[(2,5-dimethylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCc1ccc(C)c(CN2C(=O)NC3(CCCCCC3)C2=O)c1
InChIInChI=1S/C18H24N2O2/c1-13-7-8-14(2)15(11-13)12-20-16(21)18(19-17(20)22)9-5-3-4-6-10-18/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,19,22)
InChIKeyFKRCJRUBEOOKLO-UHFFFAOYSA-N
XLogP3.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[(2,5-dimethylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 2662563) is 3-[(2,5-dimethylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[(2,5-dimethylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is Cc1ccc(C)c(CN2C(=O)NC3(CCCCCC3)C2=O)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is FKRCJRUBEOOKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-7-8-14(2)15(11-13)12-20-16(21)18(19-17(20)22)9-5-3-4-6-10-18/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,19,22).
What are the key properties of 3-[(2,5-dimethylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[(2,5-dimethylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 300.40 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 2662563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).