N-(4-ethylphenyl)-6-methyl-8-oxo-9-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide

C23H28N4O2 — CID 131655098

IUPACN-(4-ethylphenyl)-6-methyl-8-oxo-9-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC3(C2)CN(c2ccccc2)C(=O)CN3C)cc1
InChIInChI=1S/C23H28N4O2/c1-3-18-9-11-19(12-10-18)24-22(29)26-14-13-23(16-26)17-27(21(28)15-25(23)2)20-7-5-4-6-8-20/h4-12H,3,13-17H2,1-2H3,(H,24,29)
InChIKeyABGYSKJARHRINH-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.20
Rot. Bonds3

About N-(4-ethylphenyl)-6-methyl-8-oxo-9-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide

N-(4-ethylphenyl)-6-methyl-8-oxo-9-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide (PubChem CID 131655098) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(4-ethylphenyl)-6-methyl-8-oxo-9-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-6-methyl-8-oxo-9-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
PubChem CID131655098
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-(4-ethylphenyl)-6-methyl-8-oxo-9-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC3(C2)CN(c2ccccc2)C(=O)CN3C)cc1
InChIInChI=1S/C23H28N4O2/c1-3-18-9-11-19(12-10-18)24-22(29)26-14-13-23(16-26)17-27(21(28)15-25(23)2)20-7-5-4-6-8-20/h4-12H,3,13-17H2,1-2H3,(H,24,29)
InChIKeyABGYSKJARHRINH-UHFFFAOYSA-N
XLogP3.20
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-6-methyl-8-oxo-9-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 131649936
2-benzoyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131638275
2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131696189
N-(2-fluorophenyl)-6-methyl-8-oxo-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 131650297
2-(furan-2-carbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155862799
6-methyl-9-phenyl-2-(pyrazolidine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 134073025
6-methyl-2-(3-phenylpropanoyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131652304
4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998873
6-ethyl-8-oxo-N-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 131645592
6-methyl-9-phenyl-2-(quinoline-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131641720
2-(2,2-dimethylpropanoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 155875816
6-methyl-9-phenyl-2-(pyridine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 171696056

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-6-methyl-8-oxo-9-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-6-methyl-8-oxo-9-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide (CID 131655098) is N-(4-ethylphenyl)-6-methyl-8-oxo-9-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-6-methyl-8-oxo-9-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-6-methyl-8-oxo-9-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide is CCc1ccc(NC(=O)N2CCC3(C2)CN(c2ccccc2)C(=O)CN3C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-6-methyl-8-oxo-9-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
The InChIKey is ABGYSKJARHRINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-3-18-9-11-19(12-10-18)24-22(29)26-14-13-23(16-26)17-27(21(28)15-25(23)2)20-7-5-4-6-8-20/h4-12H,3,13-17H2,1-2H3,(H,24,29).
What are the key properties of N-(4-ethylphenyl)-6-methyl-8-oxo-9-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
N-(4-ethylphenyl)-6-methyl-8-oxo-9-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-6-methyl-8-oxo-9-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 131655098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).