2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane-4-carboxamide

C14H19NO4 — CID 156904665

IUPAC2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane-4-carboxamide
SMILESCOc1ccc(C2OCC(C)(C)C(C(N)=O)O2)cc1
InChIInChI=1S/C14H19NO4/c1-14(2)8-18-13(19-11(14)12(15)16)9-4-6-10(17-3)7-5-9/h4-7,11,13H,8H2,1-3H3,(H2,15,16)
InChIKeyADKXBIHASVQNPE-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.62
Rot. Bonds3

About 2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane-4-carboxamide

2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane-4-carboxamide (PubChem CID 156904665) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane-4-carboxamide
PubChem CID156904665
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane-4-carboxamide
SMILESCOc1ccc(C2OCC(C)(C)C(C(N)=O)O2)cc1
InChIInChI=1S/C14H19NO4/c1-14(2)8-18-13(19-11(14)12(15)16)9-4-6-10(17-3)7-5-9/h4-7,11,13H,8H2,1-3H3,(H2,15,16)
InChIKeyADKXBIHASVQNPE-UHFFFAOYSA-N
XLogP1.62
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane-4-carboxamide (CID 156904665) is 2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane-4-carboxamide is COc1ccc(C2OCC(C)(C)C(C(N)=O)O2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane-4-carboxamide?
The InChIKey is ADKXBIHASVQNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2)8-18-13(19-11(14)12(15)16)9-4-6-10(17-3)7-5-9/h4-7,11,13H,8H2,1-3H3,(H2,15,16).
What are the key properties of 2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane-4-carboxamide?
2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane-4-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane-4-carboxamide is sourced from PubChem (CID 156904665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).