N-[2-(2,6-dimethylphenyl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxamide

C18H26N2O3 — CID 84592892

IUPACN-[2-(2,6-dimethylphenyl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCc1cccc(C)c1CCNC(=O)N1CCCC2(C1)OCCO2
InChIInChI=1S/C18H26N2O3/c1-14-5-3-6-15(2)16(14)7-9-19-17(21)20-10-4-8-18(13-20)22-11-12-23-18/h3,5-6H,4,7-13H2,1-2H3,(H,19,21)
InChIKeyGCHPSKPBLDLOIM-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.39
Rot. Bonds3

About N-[2-(2,6-dimethylphenyl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxamide

N-[2-(2,6-dimethylphenyl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 84592892) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenyl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenyl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID84592892
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[2-(2,6-dimethylphenyl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCc1cccc(C)c1CCNC(=O)N1CCCC2(C1)OCCO2
InChIInChI=1S/C18H26N2O3/c1-14-5-3-6-15(2)16(14)7-9-19-17(21)20-10-4-8-18(13-20)22-11-12-23-18/h3,5-6H,4,7-13H2,1-2H3,(H,19,21)
InChIKeyGCHPSKPBLDLOIM-UHFFFAOYSA-N
XLogP2.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 71868369
(2,6-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103890671
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-ethyl-3-methylfuran-2-yl)methanone
CID 97246391
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide
CID 97350793
N-[2-(1,7-dimethylindol-3-yl)ethyl]-5-oxa-8-azaspiro[2.6]nonane-8-carboxamide
CID 154870902
3-hydroxy-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboxamide
CID 138056955
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one
CID 104920427
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 71845719
1-acetyl-N-[2-(2,6-dichlorophenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 128987228
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone
CID 103860781
4-(oxolan-2-ylmethoxy)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide
CID 126770005
3-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 103009433

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenyl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylphenyl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxamide (CID 84592892) is N-[2-(2,6-dimethylphenyl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylphenyl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylphenyl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxamide is Cc1cccc(C)c1CCNC(=O)N1CCCC2(C1)OCCO2.
What is the InChIKey of N-[2-(2,6-dimethylphenyl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is GCHPSKPBLDLOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14-5-3-6-15(2)16(14)7-9-19-17(21)20-10-4-8-18(13-20)22-11-12-23-18/h3,5-6H,4,7-13H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(2,6-dimethylphenyl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
N-[2-(2,6-dimethylphenyl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenyl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 84592892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).