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

C24H27N3O2 — CID 53366880

IUPACN-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCC3)c1C
InChIInChI=1S/C24H27N3O2/c1-17-10-9-13-20(18(17)2)25-21(28)16-27-23(29)22(19-11-5-3-6-12-19)26-24(27)14-7-4-8-15-24/h3,5-6,9-13H,4,7-8,14-16H2,1-2H3,(H,25,28)
InChIKeyRJFSXFBGTZQBJN-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.23
Rot. Bonds4

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

N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide (PubChem CID 53366880) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
PubChem CID53366880
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCC3)c1C
InChIInChI=1S/C24H27N3O2/c1-17-10-9-13-20(18(17)2)25-21(28)16-27-23(29)22(19-11-5-3-6-12-19)26-24(27)14-7-4-8-15-24/h3,5-6,9-13H,4,7-8,14-16H2,1-2H3,(H,25,28)
InChIKeyRJFSXFBGTZQBJN-UHFFFAOYSA-N
XLogP4.23
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.23
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[4.4]non-1-en-4-yl)acetamide
CID 91891070
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
ethyl 2-[[2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetyl]amino]benzoate
CID 53490408
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
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
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-benzyl-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 53490388
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
CID 53366847

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide (CID 53366880) is N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide is Cc1cccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCC3)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide?
The InChIKey is RJFSXFBGTZQBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17-10-9-13-20(18(17)2)25-21(28)16-27-23(29)22(19-11-5-3-6-12-19)26-24(27)14-7-4-8-15-24/h3,5-6,9-13H,4,7-8,14-16H2,1-2H3,(H,25,28).
What are the key properties of N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide?
N-(2,3-dimethylphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide has a molecular weight of 389.50 g/mol, XLogP of 4.23, 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[4.5]dec-1-en-4-yl)acetamide is sourced from PubChem (CID 53366880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).