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

C24H27N3O2 — CID 91164753

IUPAC2-(2-methylphenyl)-2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
SMILESCc1ccc(C2=NC3(CCCCC3)N(C(C(N)=O)c3ccccc3C)C2=O)cc1
InChIInChI=1S/C24H27N3O2/c1-16-10-12-18(13-11-16)20-23(29)27(24(26-20)14-6-3-7-15-24)21(22(25)28)19-9-5-4-8-17(19)2/h4-5,8-13,21H,3,6-7,14-15H2,1-2H3,(H2,25,28)
InChIKeyZUXISXMHVUBEAM-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.82
Rot. Bonds4

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

2-(2-methylphenyl)-2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide (PubChem CID 91164753) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(2-methylphenyl)-2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
PubChem CID91164753
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-(2-methylphenyl)-2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
SMILESCc1ccc(C2=NC3(CCCCC3)N(C(C(N)=O)c3ccccc3C)C2=O)cc1
InChIInChI=1S/C24H27N3O2/c1-16-10-12-18(13-11-16)20-23(29)27(24(26-20)14-6-3-7-15-24)21(22(25)28)19-9-5-4-8-17(19)2/h4-5,8-13,21H,3,6-7,14-15H2,1-2H3,(H2,25,28)
InChIKeyZUXISXMHVUBEAM-UHFFFAOYSA-N
XLogP3.82
TPSA75.76 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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 91094459
2-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide
CID 90684855
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
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one
CID 53490455
2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 53366889
2-[2-(2-methylphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetic acid
CID 58553984
(3,4-dimethoxyphenyl)-[2-(4-methylphenyl)-3-sulfanylidene-1,4-diazaspiro[4.5]dec-1-en-4-yl]methanone
CID 18592509
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-(4-chlorophenyl)-4-(2-oxopropyl)-1,4-diazaspiro[4.5]dec-1-en-3-one;ethane
CID 143400887
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-(2-methylphenyl)-2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide (CID 91164753) is 2-(2-methylphenyl)-2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide is Cc1ccc(C2=NC3(CCCCC3)N(C(C(N)=O)c3ccccc3C)C2=O)cc1.
What is the InChIKey of 2-(2-methylphenyl)-2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The InChIKey is ZUXISXMHVUBEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-16-10-12-18(13-11-16)20-23(29)27(24(26-20)14-6-3-7-15-24)21(22(25)28)19-9-5-4-8-17(19)2/h4-5,8-13,21H,3,6-7,14-15H2,1-2H3,(H2,25,28).
What are the key properties of 2-(2-methylphenyl)-2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
2-(2-methylphenyl)-2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide is sourced from PubChem (CID 91164753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).