8-(4-nitrosophenyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1,2,8-triazaspiro[4.5]decane-1-carboxamide

C23H27N5O3 — CID 89009283

IUPAC8-(4-nitrosophenyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1,2,8-triazaspiro[4.5]decane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)N2NC(=O)CC23CCN(c2ccc(N=O)cc2)CC3)c(C)c1
InChIInChI=1S/C23H27N5O3/c1-15-12-16(2)21(17(3)13-15)24-22(30)28-23(14-20(29)25-28)8-10-27(11-9-23)19-6-4-18(26-31)5-7-19/h4-7,12-13H,8-11,14H2,1-3H3,(H,24,30)(H,25,29)
InChIKeyJFFVHKUYGJCWKM-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.32
Rot. Bonds3

About 8-(4-nitrosophenyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1,2,8-triazaspiro[4.5]decane-1-carboxamide

8-(4-nitrosophenyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1,2,8-triazaspiro[4.5]decane-1-carboxamide (PubChem CID 89009283) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 8-(4-nitrosophenyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1,2,8-triazaspiro[4.5]decane-1-carboxamide.

Molecular Properties

Compound Name8-(4-nitrosophenyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1,2,8-triazaspiro[4.5]decane-1-carboxamide
PubChem CID89009283
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name8-(4-nitrosophenyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1,2,8-triazaspiro[4.5]decane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)N2NC(=O)CC23CCN(c2ccc(N=O)cc2)CC3)c(C)c1
InChIInChI=1S/C23H27N5O3/c1-15-12-16(2)21(17(3)13-15)24-22(30)28-23(14-20(29)25-28)8-10-27(11-9-23)19-6-4-18(26-31)5-7-19/h4-7,12-13H,8-11,14H2,1-3H3,(H,24,30)(H,25,29)
InChIKeyJFFVHKUYGJCWKM-UHFFFAOYSA-N
XLogP4.32
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 8-(4-nitrosophenyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1,2,8-triazaspiro[4.5]decane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethyl-6-methylphenyl)-8-(4-nitrosophenyl)-3-oxo-1,2,8-triazaspiro[4.5]decane-1-carboxamide
CID 89009311
ethane;3-oxo-N,8-diphenyl-1,2,8-triazaspiro[4.5]decane-1-carboxamide
CID 91605331
N-(4-methylphenyl)-8-(4-nitrophenyl)-3-oxo-1,2,8-triazaspiro[4.5]decane-1-carboxamide
CID 3851643
4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide
CID 21368177
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112475
2-(3-oxopiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 2656984
2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 37221892
1-(4-nitrosophenyl)piperidine
CID 88954522
4-(3-chloro-4-methylphenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111875
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 42268559
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
N-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112439

Frequently Asked Questions

What is the IUPAC name of 8-(4-nitrosophenyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1,2,8-triazaspiro[4.5]decane-1-carboxamide?
The IUPAC name of 8-(4-nitrosophenyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1,2,8-triazaspiro[4.5]decane-1-carboxamide (CID 89009283) is 8-(4-nitrosophenyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1,2,8-triazaspiro[4.5]decane-1-carboxamide.
What is the SMILES notation for 8-(4-nitrosophenyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1,2,8-triazaspiro[4.5]decane-1-carboxamide?
The canonical SMILES for 8-(4-nitrosophenyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1,2,8-triazaspiro[4.5]decane-1-carboxamide is Cc1cc(C)c(NC(=O)N2NC(=O)CC23CCN(c2ccc(N=O)cc2)CC3)c(C)c1.
What is the InChIKey of 8-(4-nitrosophenyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1,2,8-triazaspiro[4.5]decane-1-carboxamide?
The InChIKey is JFFVHKUYGJCWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15-12-16(2)21(17(3)13-15)24-22(30)28-23(14-20(29)25-28)8-10-27(11-9-23)19-6-4-18(26-31)5-7-19/h4-7,12-13H,8-11,14H2,1-3H3,(H,24,30)(H,25,29).
What are the key properties of 8-(4-nitrosophenyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1,2,8-triazaspiro[4.5]decane-1-carboxamide?
8-(4-nitrosophenyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1,2,8-triazaspiro[4.5]decane-1-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-nitrosophenyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1,2,8-triazaspiro[4.5]decane-1-carboxamide is sourced from PubChem (CID 89009283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).