ethane;methoxymethane;N-(1-methylpyrrolidin-3-yl)acetamide

C13H32N2O2 — CID 169228912

IUPACethane;methoxymethane;N-(1-methylpyrrolidin-3-yl)acetamide
SMILESCC.CC.CC(=O)NC1CCN(C)C1.COC
InChIInChI=1S/C7H14N2O.C2H6O.2C2H6/c1-6(10)8-7-3-4-9(2)5-7;1-3-2;2*1-2/h7H,3-5H2,1-2H3,(H,8,10);1-2H3;2*1-2H3
InChIKeyUBSZYQLCYYLGDI-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.14
Rot. Bonds1

About ethane;methoxymethane;N-(1-methylpyrrolidin-3-yl)acetamide

ethane;methoxymethane;N-(1-methylpyrrolidin-3-yl)acetamide (PubChem CID 169228912) has the molecular formula C13H32N2O2 and a molecular weight of 248.41 g/mol. Its IUPAC name is ethane;methoxymethane;N-(1-methylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Nameethane;methoxymethane;N-(1-methylpyrrolidin-3-yl)acetamide
PubChem CID169228912
Molecular FormulaC13H32N2O2
Molecular Weight248.41 g/mol
Exact Mass248.25
IUPAC Nameethane;methoxymethane;N-(1-methylpyrrolidin-3-yl)acetamide
SMILESCC.CC.CC(=O)NC1CCN(C)C1.COC
InChIInChI=1S/C7H14N2O.C2H6O.2C2H6/c1-6(10)8-7-3-4-9(2)5-7;1-3-2;2*1-2/h7H,3-5H2,1-2H3,(H,8,10);1-2H3;2*1-2H3
InChIKeyUBSZYQLCYYLGDI-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;methoxymethane;N-(1-methylpyrrolidin-3-yl)acetamide?
The IUPAC name of ethane;methoxymethane;N-(1-methylpyrrolidin-3-yl)acetamide (CID 169228912) is ethane;methoxymethane;N-(1-methylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for ethane;methoxymethane;N-(1-methylpyrrolidin-3-yl)acetamide?
The canonical SMILES for ethane;methoxymethane;N-(1-methylpyrrolidin-3-yl)acetamide is CC.CC.CC(=O)NC1CCN(C)C1.COC.
What is the InChIKey of ethane;methoxymethane;N-(1-methylpyrrolidin-3-yl)acetamide?
The InChIKey is UBSZYQLCYYLGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C2H6O.2C2H6/c1-6(10)8-7-3-4-9(2)5-7;1-3-2;2*1-2/h7H,3-5H2,1-2H3,(H,8,10);1-2H3;2*1-2H3.
What are the key properties of ethane;methoxymethane;N-(1-methylpyrrolidin-3-yl)acetamide?
ethane;methoxymethane;N-(1-methylpyrrolidin-3-yl)acetamide has a molecular weight of 248.41 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxymethane;N-(1-methylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 169228912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).