(5S,6R)-3-[(2,5-dimethylphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C18H24N2O2 — CID 7181629

IUPAC(5S,6R)-3-[(2,5-dimethylphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(C)c(CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1
InChIInChI=1S/C18H24N2O2/c1-12-7-8-13(2)15(10-12)11-20-16(21)18(19-17(20)22)9-5-4-6-14(18)3/h7-8,10,14H,4-6,9,11H2,1-3H3,(H,19,22)/t14-,18+/m1/s1
InChIKeyCWUJEPHQWKAUTE-KDOFPFPSSA-N
MW300.40 g/mol
LogP3.30
Rot. Bonds2

About (5S,6R)-3-[(2,5-dimethylphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

(5S,6R)-3-[(2,5-dimethylphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 7181629) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (5S,6R)-3-[(2,5-dimethylphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5S,6R)-3-[(2,5-dimethylphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID7181629
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(5S,6R)-3-[(2,5-dimethylphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(C)c(CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1
InChIInChI=1S/C18H24N2O2/c1-12-7-8-13(2)15(10-12)11-20-16(21)18(19-17(20)22)9-5-4-6-14(18)3/h7-8,10,14H,4-6,9,11H2,1-3H3,(H,19,22)/t14-,18+/m1/s1
InChIKeyCWUJEPHQWKAUTE-KDOFPFPSSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dimethylphenyl)methyl 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7469843
(5R,6R)-6-methyl-3-[(3-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40898355
(5R,6S)-3-[(2,5-dimethoxyphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8572012
(5S,6S)-3-[(2,5-dimethoxyphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8572009
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8943432
(5R,6S)-3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9267766
(5S,6S)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7265698
(5R,6S)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7265700
2-[(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzonitrile
CID 3984831
(5S,6S)-6-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40973285
(5S,6R)-3-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9320247
(5S,6S)-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8943443

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-3-[(2,5-dimethylphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5S,6R)-3-[(2,5-dimethylphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 7181629) is (5S,6R)-3-[(2,5-dimethylphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5S,6R)-3-[(2,5-dimethylphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5S,6R)-3-[(2,5-dimethylphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1ccc(C)c(CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1.
What is the InChIKey of (5S,6R)-3-[(2,5-dimethylphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is CWUJEPHQWKAUTE-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12-7-8-13(2)15(10-12)11-20-16(21)18(19-17(20)22)9-5-4-6-14(18)3/h7-8,10,14H,4-6,9,11H2,1-3H3,(H,19,22)/t14-,18+/m1/s1.
What are the key properties of (5S,6R)-3-[(2,5-dimethylphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
(5S,6R)-3-[(2,5-dimethylphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 300.40 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-3-[(2,5-dimethylphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 7181629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).