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

C25H29N3O3 — CID 91094459

IUPAC2-(2,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
SMILESCOc1ccc(C2=NC3(CCCCC3)N(C(C(N)=O)c3ccc(C)cc3C)C2=O)cc1
InChIInChI=1S/C25H29N3O3/c1-16-7-12-20(17(2)15-16)22(23(26)29)28-24(30)21(18-8-10-19(31-3)11-9-18)27-25(28)13-5-4-6-14-25/h7-12,15,22H,4-6,13-14H2,1-3H3,(H2,26,29)
InChIKeyXUQJEYJWKOGHCT-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.83
Rot. Bonds5

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

2-(2,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide (PubChem CID 91094459) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
PubChem CID91094459
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name2-(2,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
SMILESCOc1ccc(C2=NC3(CCCCC3)N(C(C(N)=O)c3ccc(C)cc3C)C2=O)cc1
InChIInChI=1S/C25H29N3O3/c1-16-7-12-20(17(2)15-16)22(23(26)29)28-24(30)21(18-8-10-19(31-3)11-9-18)27-25(28)13-5-4-6-14-25/h7-12,15,22H,4-6,13-14H2,1-3H3,(H2,26,29)
InChIKeyXUQJEYJWKOGHCT-UHFFFAOYSA-N
XLogP3.83
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 91164753
2-(3,5-difluorophenyl)-2-[2-[4-(1-methoxyethyl)phenyl]-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetamide
CID 90787750
4-benzoyl-2-(4-methoxyphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one
CID 22424943
2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 53490445
2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(2,4,5-trifluorophenyl)acetamide
CID 24746340
2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 53490419
N-benzyl-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 53490388
2-(4-methoxyphenyl)-4-[(4-methyl-1,3-dioxetan-2-yl)methyl]-1,4-diazaspiro[4.5]dec-1-en-3-one
CID 70312038
ethyl 2-[[2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetyl]amino]benzoate
CID 53490408
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-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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide (CID 91094459) is 2-(2,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide is COc1ccc(C2=NC3(CCCCC3)N(C(C(N)=O)c3ccc(C)cc3C)C2=O)cc1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The InChIKey is XUQJEYJWKOGHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-16-7-12-20(17(2)15-16)22(23(26)29)28-24(30)21(18-8-10-19(31-3)11-9-18)27-25(28)13-5-4-6-14-25/h7-12,15,22H,4-6,13-14H2,1-3H3,(H2,26,29).
What are the key properties of 2-(2,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
2-(2,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide has a molecular weight of 419.53 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide is sourced from PubChem (CID 91094459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).