ethyl N,N-dimethylcarbamate;methanol

C6H15NO3 — CID 91324279

IUPACethyl N,N-dimethylcarbamate;methanol
SMILESCCOC(=O)N(C)C.CO
InChIInChI=1S/C5H11NO2.CH4O/c1-4-8-5(7)6(2)3;1-2/h4H2,1-3H3;2H,1H3
InChIKeyLQWYRTRKNIXHMZ-UHFFFAOYSA-N
MW149.19 g/mol
LogP0.31
Rot. Bonds1

About ethyl N,N-dimethylcarbamate;methanol

ethyl N,N-dimethylcarbamate;methanol (PubChem CID 91324279) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is ethyl N,N-dimethylcarbamate;methanol.

Molecular Properties

Compound Nameethyl N,N-dimethylcarbamate;methanol
PubChem CID91324279
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Nameethyl N,N-dimethylcarbamate;methanol
SMILESCCOC(=O)N(C)C.CO
InChIInChI=1S/C5H11NO2.CH4O/c1-4-8-5(7)6(2)3;1-2/h4H2,1-3H3;2H,1H3
InChIKeyLQWYRTRKNIXHMZ-UHFFFAOYSA-N
XLogP0.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N,N-dimethylcarbamate;methanol?
The IUPAC name of ethyl N,N-dimethylcarbamate;methanol (CID 91324279) is ethyl N,N-dimethylcarbamate;methanol.
What is the SMILES notation for ethyl N,N-dimethylcarbamate;methanol?
The canonical SMILES for ethyl N,N-dimethylcarbamate;methanol is CCOC(=O)N(C)C.CO.
What is the InChIKey of ethyl N,N-dimethylcarbamate;methanol?
The InChIKey is LQWYRTRKNIXHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.CH4O/c1-4-8-5(7)6(2)3;1-2/h4H2,1-3H3;2H,1H3.
What are the key properties of ethyl N,N-dimethylcarbamate;methanol?
ethyl N,N-dimethylcarbamate;methanol has a molecular weight of 149.19 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N,N-dimethylcarbamate;methanol is sourced from PubChem (CID 91324279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).