N-butyl-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C13H24N2O3 — CID 108989729

IUPACN-butyl-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCCCCN(C)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H24N2O3/c1-3-4-7-14(2)12(16)15-8-5-13(6-9-15)17-10-11-18-13/h3-11H2,1-2H3
InChIKeyMVGUSVITNLNRGK-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.68
Rot. Bonds3

About N-butyl-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

N-butyl-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 108989729) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-butyl-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID108989729
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-butyl-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCCCCN(C)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H24N2O3/c1-3-4-7-14(2)12(16)15-8-5-13(6-9-15)17-10-11-18-13/h3-11H2,1-2H3
InChIKeyMVGUSVITNLNRGK-UHFFFAOYSA-N
XLogP1.68
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-methylpyridine-2-carboxamide
CID 109088569
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(dipropylamino)ethanone
CID 78897408
N-methyl-N-pentylpyrrolidine-1-carboxamide
CID 116654215
ethyl N-butyl-N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)carbamate
CID 134575994
[5-[butyl(methyl)amino]pyrazin-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109285959
ethyl 4-[butyl(methyl)carbamoyl]piperazine-1-carboxylate
CID 108989937
1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)octan-1-one
CID 122136542
N-butyl-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-methylbenzamide
CID 109065052
8-octyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 21249280
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylcyclohexane-1-carboxamide
CID 109149331
N,4-dimethyl-N-pentylpiperidine-1-carboxamide
CID 116654214
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-butyl-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-butyl-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 108989729) is N-butyl-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-butyl-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is CCCCN(C)C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of N-butyl-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is MVGUSVITNLNRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-4-7-14(2)12(16)15-8-5-13(6-9-15)17-10-11-18-13/h3-11H2,1-2H3.
What are the key properties of N-butyl-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-butyl-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 108989729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).