N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,4-dioxane-2-carboxamide

C13H21NO5 — CID 47249858

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-1,4-dioxane-2-carboxamide
SMILESO=C(NC1CCC2(CC1)OCCO2)C1COCCO1
InChIInChI=1S/C13H21NO5/c15-12(11-9-16-5-6-17-11)14-10-1-3-13(4-2-10)18-7-8-19-13/h10-11H,1-9H2,(H,14,15)
InChIKeyYYCWUOBXKBPXQZ-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.20
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,4-dioxane-2-carboxamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,4-dioxane-2-carboxamide (PubChem CID 47249858) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1,4-dioxane-2-carboxamide
PubChem CID47249858
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1,4-dioxane-2-carboxamide
SMILESO=C(NC1CCC2(CC1)OCCO2)C1COCCO1
InChIInChI=1S/C13H21NO5/c15-12(11-9-16-5-6-17-11)14-10-1-3-13(4-2-10)18-7-8-19-13/h10-11H,1-9H2,(H,14,15)
InChIKeyYYCWUOBXKBPXQZ-UHFFFAOYSA-N
XLogP0.20
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,4-dioxane-2-carboxamide (CID 47249858) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,4-dioxane-2-carboxamide is O=C(NC1CCC2(CC1)OCCO2)C1COCCO1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,4-dioxane-2-carboxamide?
The InChIKey is YYCWUOBXKBPXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c15-12(11-9-16-5-6-17-11)14-10-1-3-13(4-2-10)18-7-8-19-13/h10-11H,1-9H2,(H,14,15).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,4-dioxane-2-carboxamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,4-dioxane-2-carboxamide has a molecular weight of 271.31 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 47249858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).