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

C18H24N2O5 — CID 108985514

IUPAC2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide
SMILESCOc1ccc(CCNC(=O)C(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C18H24N2O5/c1-23-15-4-2-14(3-5-15)6-9-19-16(21)17(22)20-10-7-18(8-11-20)24-12-13-25-18/h2-5H,6-13H2,1H3,(H,19,21)
InChIKeyYLYFGIBYAQWBNY-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.72
Rot. Bonds4

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

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide (PubChem CID 108985514) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide
PubChem CID108985514
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide
SMILESCOc1ccc(CCNC(=O)C(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C18H24N2O5/c1-23-15-4-2-14(3-5-15)6-9-19-16(21)17(22)20-10-7-18(8-11-20)24-12-13-25-18/h2-5H,6-13H2,1H3,(H,19,21)
InChIKeyYLYFGIBYAQWBNY-UHFFFAOYSA-N
XLogP0.72
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.72
H-Bond Donors ≤ 51
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-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108985431
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260452
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-propylacetamide
CID 108983892
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxybenzamide
CID 38376792
N-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
CID 44901827
2-(azepan-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108985455
1-N,1-N'-bis[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977727
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 44902292
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)-2-oxoacetamide
CID 44999558
N-[2-(4-methoxyphenyl)ethyl]-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 167881078
1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 167815427
N-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167780706

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide?
The IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide (CID 108985514) is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide?
The canonical SMILES for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide is COc1ccc(CCNC(=O)C(=O)N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide?
The InChIKey is YLYFGIBYAQWBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-23-15-4-2-14(3-5-15)6-9-19-16(21)17(22)20-10-7-18(8-11-20)24-12-13-25-18/h2-5H,6-13H2,1H3,(H,19,21).
What are the key properties of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide?
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide has a molecular weight of 348.40 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide is sourced from PubChem (CID 108985514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).