N-(3,5-dimethylphenyl)-2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide

C18H23N3O3 — CID 50976611

IUPACN-(3,5-dimethylphenyl)-2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)C(=O)N2CCC3(CC2)CNC(=O)C3)c1
InChIInChI=1S/C18H23N3O3/c1-12-7-13(2)9-14(8-12)20-16(23)17(24)21-5-3-18(4-6-21)10-15(22)19-11-18/h7-9H,3-6,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyTZHDJZODKWJGIQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.37
Rot. Bonds1

About N-(3,5-dimethylphenyl)-2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide

N-(3,5-dimethylphenyl)-2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide (PubChem CID 50976611) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide
PubChem CID50976611
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-(3,5-dimethylphenyl)-2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)C(=O)N2CCC3(CC2)CNC(=O)C3)c1
InChIInChI=1S/C18H23N3O3/c1-12-7-13(2)9-14(8-12)20-16(23)17(24)21-5-3-18(4-6-21)10-15(22)19-11-18/h7-9H,3-6,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyTZHDJZODKWJGIQ-UHFFFAOYSA-N
XLogP1.37
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

8-but-2-ynoyl-2,8-diazaspiro[4.5]decan-3-one
CID 107989904
8-(2,2,3,3-tetramethylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 66476165
2-(4-benzylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2-oxoacetamide
CID 44901961
8-[1-(2-methoxyethyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 139013287
8-(2,3,6-trimethylquinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 50951317
8-(2-bromo-3-fluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 81499414
8-(5-methoxy-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70752123
8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 113246543
N-(3,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 23555753
N-(3,5-dimethylphenyl)-3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70781141
8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 50951911
8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
CID 155831091

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide (CID 50976611) is N-(3,5-dimethylphenyl)-2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide is Cc1cc(C)cc(NC(=O)C(=O)N2CCC3(CC2)CNC(=O)C3)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide?
The InChIKey is TZHDJZODKWJGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-7-13(2)9-14(8-12)20-16(23)17(24)21-5-3-18(4-6-21)10-15(22)19-11-18/h7-9H,3-6,10-11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(3,5-dimethylphenyl)-2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide?
N-(3,5-dimethylphenyl)-2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide is sourced from PubChem (CID 50976611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).