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

C17H21N3O5 — CID 45001311

IUPACN-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C17H21N3O5/c1-12(21)18-13-2-4-14(5-3-13)19-15(22)16(23)20-8-6-17(7-9-20)24-10-11-25-17/h2-5H,6-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyOKMMJYDXMBCLGH-UHFFFAOYSA-N
MW347.37 g/mol
LogP0.95
Rot. Bonds2

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

N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide (PubChem CID 45001311) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
PubChem CID45001311
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC NameN-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C17H21N3O5/c1-12(21)18-13-2-4-14(5-3-13)19-15(22)16(23)20-8-6-17(7-9-20)24-10-11-25-17/h2-5H,6-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyOKMMJYDXMBCLGH-UHFFFAOYSA-N
XLogP0.95
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)-2-oxoacetamide
CID 44999558
methyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetyl]amino]benzoate
CID 44902452
N-(3,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
CID 44902691
N-(4-acetamidophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989746
N-(3-bromophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
CID 108986017
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(2-propan-2-ylphenyl)acetamide
CID 108985990
N-[4-[acetyl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]phenyl]acetamide
CID 113175931
N-(4-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2207260
N-(4-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3789678
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide
CID 113014035
N-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
CID 44901827
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-propylacetamide
CID 108983892

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide (CID 45001311) is N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide is CC(=O)Nc1ccc(NC(=O)C(=O)N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide?
The InChIKey is OKMMJYDXMBCLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-12(21)18-13-2-4-14(5-3-13)19-15(22)16(23)20-8-6-17(7-9-20)24-10-11-25-17/h2-5H,6-11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide?
N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide has a molecular weight of 347.37 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide is sourced from PubChem (CID 45001311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).