2-methyl-N-(oxolan-2-ylmethyl)-1,3-dioxane-5-carboxamide

C11H19NO4 — CID 141007836

IUPAC2-methyl-N-(oxolan-2-ylmethyl)-1,3-dioxane-5-carboxamide
SMILESCC1OCC(C(=O)NCC2CCCO2)CO1
InChIInChI=1S/C11H19NO4/c1-8-15-6-9(7-16-8)11(13)12-5-10-3-2-4-14-10/h8-10H,2-7H2,1H3,(H,12,13)
InChIKeyRNIQUMOJWFBACU-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.29
Rot. Bonds3

About 2-methyl-N-(oxolan-2-ylmethyl)-1,3-dioxane-5-carboxamide

2-methyl-N-(oxolan-2-ylmethyl)-1,3-dioxane-5-carboxamide (PubChem CID 141007836) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-methyl-N-(oxolan-2-ylmethyl)-1,3-dioxane-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(oxolan-2-ylmethyl)-1,3-dioxane-5-carboxamide
PubChem CID141007836
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-methyl-N-(oxolan-2-ylmethyl)-1,3-dioxane-5-carboxamide
SMILESCC1OCC(C(=O)NCC2CCCO2)CO1
InChIInChI=1S/C11H19NO4/c1-8-15-6-9(7-16-8)11(13)12-5-10-3-2-4-14-10/h8-10H,2-7H2,1H3,(H,12,13)
InChIKeyRNIQUMOJWFBACU-UHFFFAOYSA-N
XLogP0.29
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)-1,3-dioxane-5-carboxamide?
The IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)-1,3-dioxane-5-carboxamide (CID 141007836) is 2-methyl-N-(oxolan-2-ylmethyl)-1,3-dioxane-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(oxolan-2-ylmethyl)-1,3-dioxane-5-carboxamide?
The canonical SMILES for 2-methyl-N-(oxolan-2-ylmethyl)-1,3-dioxane-5-carboxamide is CC1OCC(C(=O)NCC2CCCO2)CO1.
What is the InChIKey of 2-methyl-N-(oxolan-2-ylmethyl)-1,3-dioxane-5-carboxamide?
The InChIKey is RNIQUMOJWFBACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8-15-6-9(7-16-8)11(13)12-5-10-3-2-4-14-10/h8-10H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-methyl-N-(oxolan-2-ylmethyl)-1,3-dioxane-5-carboxamide?
2-methyl-N-(oxolan-2-ylmethyl)-1,3-dioxane-5-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxolan-2-ylmethyl)-1,3-dioxane-5-carboxamide is sourced from PubChem (CID 141007836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).