N,5-dimethyl-2-oxo-N-propan-2-yl-1,3-dioxane-5-carboxamide

C10H17NO4 — CID 122480262

IUPACN,5-dimethyl-2-oxo-N-propan-2-yl-1,3-dioxane-5-carboxamide
SMILESCC(C)N(C)C(=O)C1(C)COC(=O)OC1
InChIInChI=1S/C10H17NO4/c1-7(2)11(4)8(12)10(3)5-14-9(13)15-6-10/h7H,5-6H2,1-4H3
InChIKeyKNFWXCPKQCOALP-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.03
Rot. Bonds2

About N,5-dimethyl-2-oxo-N-propan-2-yl-1,3-dioxane-5-carboxamide

N,5-dimethyl-2-oxo-N-propan-2-yl-1,3-dioxane-5-carboxamide (PubChem CID 122480262) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is N,5-dimethyl-2-oxo-N-propan-2-yl-1,3-dioxane-5-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-2-oxo-N-propan-2-yl-1,3-dioxane-5-carboxamide
PubChem CID122480262
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC NameN,5-dimethyl-2-oxo-N-propan-2-yl-1,3-dioxane-5-carboxamide
SMILESCC(C)N(C)C(=O)C1(C)COC(=O)OC1
InChIInChI=1S/C10H17NO4/c1-7(2)11(4)8(12)10(3)5-14-9(13)15-6-10/h7H,5-6H2,1-4H3
InChIKeyKNFWXCPKQCOALP-UHFFFAOYSA-N
XLogP1.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-2-oxo-N-propan-2-yl-1,3-dioxane-5-carboxamide?
The IUPAC name of N,5-dimethyl-2-oxo-N-propan-2-yl-1,3-dioxane-5-carboxamide (CID 122480262) is N,5-dimethyl-2-oxo-N-propan-2-yl-1,3-dioxane-5-carboxamide.
What is the SMILES notation for N,5-dimethyl-2-oxo-N-propan-2-yl-1,3-dioxane-5-carboxamide?
The canonical SMILES for N,5-dimethyl-2-oxo-N-propan-2-yl-1,3-dioxane-5-carboxamide is CC(C)N(C)C(=O)C1(C)COC(=O)OC1.
What is the InChIKey of N,5-dimethyl-2-oxo-N-propan-2-yl-1,3-dioxane-5-carboxamide?
The InChIKey is KNFWXCPKQCOALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7(2)11(4)8(12)10(3)5-14-9(13)15-6-10/h7H,5-6H2,1-4H3.
What are the key properties of N,5-dimethyl-2-oxo-N-propan-2-yl-1,3-dioxane-5-carboxamide?
N,5-dimethyl-2-oxo-N-propan-2-yl-1,3-dioxane-5-carboxamide has a molecular weight of 215.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-2-oxo-N-propan-2-yl-1,3-dioxane-5-carboxamide is sourced from PubChem (CID 122480262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).