2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(2,4,6-trimethylphenyl)acetamide

C26H31N3O2 — CID 53366764

IUPAC2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCC(C)CC3)c(C)c1
InChIInChI=1S/C26H31N3O2/c1-17-10-12-26(13-11-17)28-24(21-8-6-5-7-9-21)25(31)29(26)16-22(30)27-23-19(3)14-18(2)15-20(23)4/h5-9,14-15,17H,10-13,16H2,1-4H3,(H,27,30)
InChIKeyYTQRGRUFASWGPX-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.79
Rot. Bonds4

About 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(2,4,6-trimethylphenyl)acetamide

2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 53366764) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID53366764
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCC(C)CC3)c(C)c1
InChIInChI=1S/C26H31N3O2/c1-17-10-12-26(13-11-17)28-24(21-8-6-5-7-9-21)25(31)29(26)16-22(30)27-23-19(3)14-18(2)15-20(23)4/h5-9,14-15,17H,10-13,16H2,1-4H3,(H,27,30)
InChIKeyYTQRGRUFASWGPX-UHFFFAOYSA-N
XLogP4.79
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
CID 53366779
2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 53366759
N-(4-chloro-2-fluorophenyl)-2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
CID 53366771
N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
CID 53366880
2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 53366889
N-(2,5-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide
CID 91891060
2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-(2-methylphenyl)acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide
CID 160593756
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 2085218
N-[(2-chlorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide
CID 91891056
N,N-diethyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
CID 53366829
2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 7240709
ethyl 2-[[2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetyl]amino]benzoate
CID 53490408

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(2,4,6-trimethylphenyl)acetamide (CID 53366764) is 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCC(C)CC3)c(C)c1.
What is the InChIKey of 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is YTQRGRUFASWGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-17-10-12-26(13-11-17)28-24(21-8-6-5-7-9-21)25(31)29(26)16-22(30)27-23-19(3)14-18(2)15-20(23)4/h5-9,14-15,17H,10-13,16H2,1-4H3,(H,27,30).
What are the key properties of 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(2,4,6-trimethylphenyl)acetamide?
2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 417.55 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 53366764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).