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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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).