N-(3,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide

C17H22N2O4 — CID 44902691

IUPACN-(3,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)N2CCC3(CC2)OCCO3)cc1C
InChIInChI=1S/C17H22N2O4/c1-12-3-4-14(11-13(12)2)18-15(20)16(21)19-7-5-17(6-8-19)22-9-10-23-17/h3-4,11H,5-10H2,1-2H3,(H,18,20)
InChIKeyDKZNRYWCOUOQOH-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.61
Rot. Bonds1

About N-(3,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide

N-(3,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide (PubChem CID 44902691) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
PubChem CID44902691
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-(3,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)N2CCC3(CC2)OCCO3)cc1C
InChIInChI=1S/C17H22N2O4/c1-12-3-4-14(11-13(12)2)18-15(20)16(21)19-7-5-17(6-8-19)22-9-10-23-17/h3-4,11H,5-10H2,1-2H3,(H,18,20)
InChIKeyDKZNRYWCOUOQOH-UHFFFAOYSA-N
XLogP1.61
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
CID 45001311
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)-2-oxoacetamide
CID 44999558
N-(3,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide
CID 109138752
methyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetyl]amino]benzoate
CID 44902452
N-(3-bromophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
CID 108986017
N-(3,4-dimethylphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carbothioamide
CID 4996601
[2-(3,4-dimethylanilino)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109173972
N-(3,4-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109215686
N-(4-acetamidophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989746
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(2-propan-2-ylphenyl)acetamide
CID 108985990
2-(3,4-dimethylphenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 112977915

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide (CID 44902691) is N-(3,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide is Cc1ccc(NC(=O)C(=O)N2CCC3(CC2)OCCO3)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide?
The InChIKey is DKZNRYWCOUOQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-12-3-4-14(11-13(12)2)18-15(20)16(21)19-7-5-17(6-8-19)22-9-10-23-17/h3-4,11H,5-10H2,1-2H3,(H,18,20).
What are the key properties of N-(3,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide?
N-(3,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide has a molecular weight of 318.37 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide is sourced from PubChem (CID 44902691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).