N-(2,2-diethylbutyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide

C18H34N2O3 — CID 86788762

IUPACN-(2,2-diethylbutyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
SMILESCCC(CC)(CC)CNC(=O)N1CCOCC2(CCOCC2)C1
InChIInChI=1S/C18H34N2O3/c1-4-17(5-2,6-3)13-19-16(21)20-9-12-23-15-18(14-20)7-10-22-11-8-18/h4-15H2,1-3H3,(H,19,21)
InChIKeyUSKXGXLVGDTXME-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.04
Rot. Bonds5

About N-(2,2-diethylbutyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide

N-(2,2-diethylbutyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide (PubChem CID 86788762) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is N-(2,2-diethylbutyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethylbutyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
PubChem CID86788762
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC NameN-(2,2-diethylbutyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
SMILESCCC(CC)(CC)CNC(=O)N1CCOCC2(CCOCC2)C1
InChIInChI=1S/C18H34N2O3/c1-4-17(5-2,6-3)13-19-16(21)20-9-12-23-15-18(14-20)7-10-22-11-8-18/h4-15H2,1-3H3,(H,19,21)
InChIKeyUSKXGXLVGDTXME-UHFFFAOYSA-N
XLogP3.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylcyclopentyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
CID 127830794
N-[(2,2-dimethylcyclopropyl)methyl]-2-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 128608682
(5S)-N-[(2S)-1-cyclopropylbutan-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97223188
N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-5-oxa-8-azaspiro[2.6]nonane-8-carboxamide
CID 128683883
N-[(2S,4S)-2-cyclopropyloxan-4-yl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
CID 99714220
N-(3-fluoro-5-methylphenyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
CID 99821838
(5R)-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 124620773
N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
CID 84600448
N-benzyl-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
CID 131644499
1-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)-3-pyridin-4-ylpropan-1-one
CID 75503965
4-[(morpholine-4-carbonylamino)methyl]oxane-4-carboxylic acid
CID 113310020
2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid
CID 66173250

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethylbutyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide?
The IUPAC name of N-(2,2-diethylbutyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide (CID 86788762) is N-(2,2-diethylbutyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide.
What is the SMILES notation for N-(2,2-diethylbutyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide?
The canonical SMILES for N-(2,2-diethylbutyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide is CCC(CC)(CC)CNC(=O)N1CCOCC2(CCOCC2)C1.
What is the InChIKey of N-(2,2-diethylbutyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide?
The InChIKey is USKXGXLVGDTXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-4-17(5-2,6-3)13-19-16(21)20-9-12-23-15-18(14-20)7-10-22-11-8-18/h4-15H2,1-3H3,(H,19,21).
What are the key properties of N-(2,2-diethylbutyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide?
N-(2,2-diethylbutyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide has a molecular weight of 326.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethylbutyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide is sourced from PubChem (CID 86788762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).