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

C14H23NO5 — CID 79111758

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-1,4-dioxane-2-carboxamide
SMILESCN(C(=O)C1COCCO1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C14H23NO5/c1-15(13(16)12-10-17-6-7-18-12)11-2-4-14(5-3-11)19-8-9-20-14/h11-12H,2-10H2,1H3
InChIKeyAVBMSTDELVVTLZ-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.55
Rot. Bonds2

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

N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-1,4-dioxane-2-carboxamide (PubChem CID 79111758) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-1,4-dioxane-2-carboxamide
PubChem CID79111758
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-1,4-dioxane-2-carboxamide
SMILESCN(C(=O)C1COCCO1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C14H23NO5/c1-15(13(16)12-10-17-6-7-18-12)11-2-4-14(5-3-11)19-8-9-20-14/h11-12H,2-10H2,1H3
InChIKeyAVBMSTDELVVTLZ-UHFFFAOYSA-N
XLogP0.55
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.55
H-Bond Donors ≤ 50
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)-N-methyl-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-1,4-dioxane-2-carboxamide (CID 79111758) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-1,4-dioxane-2-carboxamide is CN(C(=O)C1COCCO1)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-1,4-dioxane-2-carboxamide?
The InChIKey is AVBMSTDELVVTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-15(13(16)12-10-17-6-7-18-12)11-2-4-14(5-3-11)19-8-9-20-14/h11-12H,2-10H2,1H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-1,4-dioxane-2-carboxamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-1,4-dioxane-2-carboxamide has a molecular weight of 285.34 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 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)-N-methyl-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 79111758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).