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

C16H20N2O4 — CID 44901827

IUPACN-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
SMILESO=C(NCc1ccccc1)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H20N2O4/c19-14(17-12-13-4-2-1-3-5-13)15(20)18-8-6-16(7-9-18)21-10-11-22-16/h1-5H,6-12H2,(H,17,19)
InChIKeyCHCRBGHTWQBEAB-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.67
Rot. Bonds2

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

N-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide (PubChem CID 44901827) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
PubChem CID44901827
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
SMILESO=C(NCc1ccccc1)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H20N2O4/c19-14(17-12-13-4-2-1-3-5-13)15(20)18-8-6-16(7-9-18)21-10-11-22-16/h1-5H,6-12H2,(H,17,19)
InChIKeyCHCRBGHTWQBEAB-UHFFFAOYSA-N
XLogP0.67
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.67
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

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 44902292
N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3729330
1-(4-benzylpiperidin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethane-1,2-dione
CID 108985978
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108985431
N-benzyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 108508950
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-propylacetamide
CID 108983892
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108985514
N-benzyl-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 43144985
4-[(1,5-dioxa-9-azaspiro[5.5]undecane-9-carbonylamino)methyl]benzoic acid
CID 122020091
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)-2-oxoacetamide
CID 44999558
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-phenylethylamino)ethanone
CID 108999897
[5-(benzylamino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109188006

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide?
The IUPAC name of N-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide (CID 44901827) is N-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide.
What is the SMILES notation for N-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide?
The canonical SMILES for N-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide is O=C(NCc1ccccc1)C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of N-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide?
The InChIKey is CHCRBGHTWQBEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-14(17-12-13-4-2-1-3-5-13)15(20)18-8-6-16(7-9-18)21-10-11-22-16/h1-5H,6-12H2,(H,17,19).
What are the key properties of N-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide?
N-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide has a molecular weight of 304.35 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide is sourced from PubChem (CID 44901827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).