ethane;N-methoxy-N-methylacetamide

C6H15NO2 — CID 142037161

IUPACethane;N-methoxy-N-methylacetamide
SMILESCC.CON(C)C(C)=O
InChIInChI=1S/C4H9NO2.C2H6/c1-4(6)5(2)7-3;1-2/h1-3H3;1-2H3
InChIKeyVUAQLYYCPITNOV-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.05
Rot. Bonds1

About ethane;N-methoxy-N-methylacetamide

ethane;N-methoxy-N-methylacetamide (PubChem CID 142037161) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is ethane;N-methoxy-N-methylacetamide.

Molecular Properties

Compound Nameethane;N-methoxy-N-methylacetamide
PubChem CID142037161
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Nameethane;N-methoxy-N-methylacetamide
SMILESCC.CON(C)C(C)=O
InChIInChI=1S/C4H9NO2.C2H6/c1-4(6)5(2)7-3;1-2/h1-3H3;1-2H3
InChIKeyVUAQLYYCPITNOV-UHFFFAOYSA-N
XLogP1.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methoxy-N-methylacetamide?
The IUPAC name of ethane;N-methoxy-N-methylacetamide (CID 142037161) is ethane;N-methoxy-N-methylacetamide.
What is the SMILES notation for ethane;N-methoxy-N-methylacetamide?
The canonical SMILES for ethane;N-methoxy-N-methylacetamide is CC.CON(C)C(C)=O.
What is the InChIKey of ethane;N-methoxy-N-methylacetamide?
The InChIKey is VUAQLYYCPITNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.C2H6/c1-4(6)5(2)7-3;1-2/h1-3H3;1-2H3.
What are the key properties of ethane;N-methoxy-N-methylacetamide?
ethane;N-methoxy-N-methylacetamide has a molecular weight of 133.19 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methoxy-N-methylacetamide is sourced from PubChem (CID 142037161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).