N-methoxy-1,4-dioxane-2-carboxamide

C6H11NO4 — CID 60756146

IUPACN-methoxy-1,4-dioxane-2-carboxamide
SMILESCONC(=O)C1COCCO1
InChIInChI=1S/C6H11NO4/c1-9-7-6(8)5-4-10-2-3-11-5/h5H,2-4H2,1H3,(H,7,8)
InChIKeyQXPSWWKAAKAJAW-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.92
Rot. Bonds2

About N-methoxy-1,4-dioxane-2-carboxamide

N-methoxy-1,4-dioxane-2-carboxamide (PubChem CID 60756146) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is N-methoxy-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-methoxy-1,4-dioxane-2-carboxamide
PubChem CID60756146
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC NameN-methoxy-1,4-dioxane-2-carboxamide
SMILESCONC(=O)C1COCCO1
InChIInChI=1S/C6H11NO4/c1-9-7-6(8)5-4-10-2-3-11-5/h5H,2-4H2,1H3,(H,7,8)
InChIKeyQXPSWWKAAKAJAW-UHFFFAOYSA-N
XLogP-0.92
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-bromo-3-(1,4-dioxane-2-carbonylamino)propanoate
CID 103492404
N-(2-amino-2-methylpropyl)-1,4-dioxane-2-carboxamide
CID 81424788
formic acid;methyl 1,4-dioxane-2-carboxylate
CID 143754061
N-(2-aminobutyl)-1,4-dioxane-2-carboxamide
CID 63733447
N-(3-amino-2-methylpropyl)-1,4-dioxane-2-carboxamide
CID 62798849
methyl 1-(1,4-dioxane-2-carbonylamino)cycloheptane-1-carboxylate
CID 47182071
N-[2-(methylamino)propyl]-1,4-dioxane-2-carboxamide
CID 103512639
N-phenylmethoxy-1,4-dioxane-2-carboxamide
CID 60756176
N-(1-amino-4-methylpentan-3-yl)-1,4-dioxane-2-carboxamide
CID 106356890
N-(2-amino-2-cyclopropylethyl)-1,4-dioxane-2-carboxamide
CID 63766496
N-[(2R)-1-hydroxypropan-2-yl]-1,4-dioxane-2-carboxamide
CID 79028059
N-(3-hydroxy-4-methoxybutyl)-1,4-dioxane-2-carboxamide
CID 103876916

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1,4-dioxane-2-carboxamide?
The IUPAC name of N-methoxy-1,4-dioxane-2-carboxamide (CID 60756146) is N-methoxy-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-methoxy-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-methoxy-1,4-dioxane-2-carboxamide is CONC(=O)C1COCCO1.
What is the InChIKey of N-methoxy-1,4-dioxane-2-carboxamide?
The InChIKey is QXPSWWKAAKAJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-9-7-6(8)5-4-10-2-3-11-5/h5H,2-4H2,1H3,(H,7,8).
What are the key properties of N-methoxy-1,4-dioxane-2-carboxamide?
N-methoxy-1,4-dioxane-2-carboxamide has a molecular weight of 161.16 g/mol, XLogP of -0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 60756146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).