2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

C26H31N3O6 — CID 53490445

IUPAC2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)C2=O)cc1
InChIInChI=1S/C26H31N3O6/c1-32-19-10-8-17(9-11-19)23-25(31)29(26(28-23)12-6-5-7-13-26)16-22(30)27-18-14-20(33-2)24(35-4)21(15-18)34-3/h8-11,14-15H,5-7,12-13,16H2,1-4H3,(H,27,30)
InChIKeyHSEBSWJGYCRSMN-UHFFFAOYSA-N
MW481.55 g/mol
LogP3.65
Rot. Bonds8

About 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 53490445) has the molecular formula C26H31N3O6 and a molecular weight of 481.55 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID53490445
Molecular FormulaC26H31N3O6
Molecular Weight481.55 g/mol
Exact Mass481.22
IUPAC Name2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)C2=O)cc1
InChIInChI=1S/C26H31N3O6/c1-32-19-10-8-17(9-11-19)23-25(31)29(26(28-23)12-6-5-7-13-26)16-22(30)27-18-14-20(33-2)24(35-4)21(15-18)34-3/h8-11,14-15H,5-7,12-13,16H2,1-4H3,(H,27,30)
InChIKeyHSEBSWJGYCRSMN-UHFFFAOYSA-N
XLogP3.65
TPSA98.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 24746337
N-(4-ethylphenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 23603208
2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 53490419
2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2,4,5-trifluorophenyl)acetamide
CID 24746340
N-(4-butylphenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 53490450
N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide
CID 161365092
N-(2,5-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide
CID 91891060
N-benzyl-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 53490388
N-(3-chloro-4-methoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide
CID 2141006
N-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide
CID 7184194
2-[2-(3-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2-methoxyphenyl)acetamide
CID 24743552
N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
CID 23603223

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 53490445) is 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)C2=O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is HSEBSWJGYCRSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O6/c1-32-19-10-8-17(9-11-19)23-25(31)29(26(28-23)12-6-5-7-13-26)16-22(30)27-18-14-20(33-2)24(35-4)21(15-18)34-3/h8-11,14-15H,5-7,12-13,16H2,1-4H3,(H,27,30).
What are the key properties of 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 481.55 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 53490445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).