methane;N-methoxy-N-methylacetamide

C5H13NO2 — CID 160727682

IUPACmethane;N-methoxy-N-methylacetamide
SMILESC.CON(C)C(C)=O
InChIInChI=1S/C4H9NO2.CH4/c1-4(6)5(2)7-3;/h1-3H3;1H4
InChIKeyRTXPJJYJUUMTSQ-UHFFFAOYSA-N
MW119.16 g/mol
LogP0.66
Rot. Bonds1

About methane;N-methoxy-N-methylacetamide

methane;N-methoxy-N-methylacetamide (PubChem CID 160727682) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is methane;N-methoxy-N-methylacetamide.

Molecular Properties

Compound Namemethane;N-methoxy-N-methylacetamide
PubChem CID160727682
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Namemethane;N-methoxy-N-methylacetamide
SMILESC.CON(C)C(C)=O
InChIInChI=1S/C4H9NO2.CH4/c1-4(6)5(2)7-3;/h1-3H3;1H4
InChIKeyRTXPJJYJUUMTSQ-UHFFFAOYSA-N
XLogP0.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 50.66
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 methane;N-methoxy-N-methylacetamide?
The IUPAC name of methane;N-methoxy-N-methylacetamide (CID 160727682) is methane;N-methoxy-N-methylacetamide.
What is the SMILES notation for methane;N-methoxy-N-methylacetamide?
The canonical SMILES for methane;N-methoxy-N-methylacetamide is C.CON(C)C(C)=O.
What is the InChIKey of methane;N-methoxy-N-methylacetamide?
The InChIKey is RTXPJJYJUUMTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.CH4/c1-4(6)5(2)7-3;/h1-3H3;1H4.
What are the key properties of methane;N-methoxy-N-methylacetamide?
methane;N-methoxy-N-methylacetamide has a molecular weight of 119.16 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-methoxy-N-methylacetamide is sourced from PubChem (CID 160727682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).