3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C19H24N2O3 — CID 2578266

IUPAC3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(C)c(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1
InChIInChI=1S/C19H24N2O3/c1-12-6-8-19(9-7-12)17(23)21(18(24)20-19)11-16(22)15-10-13(2)4-5-14(15)3/h4-5,10,12H,6-9,11H2,1-3H3,(H,20,24)
InChIKeyUSAQMYJSZDDORF-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.99
Rot. Bonds3

About 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2578266) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2578266
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(C)c(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1
InChIInChI=1S/C19H24N2O3/c1-12-6-8-19(9-7-12)17(23)21(18(24)20-19)11-16(22)15-10-13(2)4-5-14(15)3/h4-5,10,12H,6-9,11H2,1-3H3,(H,20,24)
InChIKeyUSAQMYJSZDDORF-UHFFFAOYSA-N
XLogP2.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,5-dimethylphenyl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2578266) is 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1ccc(C)c(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1.
What is the InChIKey of 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is USAQMYJSZDDORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12-6-8-19(9-7-12)17(23)21(18(24)20-19)11-16(22)15-10-13(2)4-5-14(15)3/h4-5,10,12H,6-9,11H2,1-3H3,(H,20,24).
What are the key properties of 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 328.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2578266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).