N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide

C23H25N3O2 — CID 91891070

IUPACN-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCC3)c1C
InChIInChI=1S/C23H25N3O2/c1-16-9-8-12-19(17(16)2)24-20(27)15-26-22(28)21(18-10-4-3-5-11-18)25-23(26)13-6-7-14-23/h3-5,8-12H,6-7,13-15H2,1-2H3,(H,24,27)
InChIKeyJUROBSUVAKNBOO-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.84
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide

N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide (PubChem CID 91891070) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide
PubChem CID91891070
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCC3)c1C
InChIInChI=1S/C23H25N3O2/c1-16-9-8-12-19(17(16)2)24-20(27)15-26-22(28)21(18-10-4-3-5-11-18)25-23(26)13-6-7-14-23/h3-5,8-12H,6-7,13-15H2,1-2H3,(H,24,27)
InChIKeyJUROBSUVAKNBOO-UHFFFAOYSA-N
XLogP3.84
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
CID 53366880
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-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 53366889
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
N-(2,5-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide
CID 91891060
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
ethyl 2-[[2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetyl]amino]benzoate
CID 53490408
N,N-diethyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
CID 53366829
2-[2-(2-methylphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetic acid
CID 58553984
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
2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-N-(2-methylphenyl)acetamide
CID 23603186
N-(2,3-dimethylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
CID 4231093

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide (CID 91891070) is N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide is Cc1cccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCC3)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide?
The InChIKey is JUROBSUVAKNBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-9-8-12-19(17(16)2)24-20(27)15-26-22(28)21(18-10-4-3-5-11-18)25-23(26)13-6-7-14-23/h3-5,8-12H,6-7,13-15H2,1-2H3,(H,24,27).
What are the key properties of N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide?
N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide has a molecular weight of 375.47 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide is sourced from PubChem (CID 91891070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).