methyl N-acetyl-N-ethylcarbamate

C6H11NO3 — CID 45088067

IUPACmethyl N-acetyl-N-ethylcarbamate
SMILESCCN(C(C)=O)C(=O)OC
InChIInChI=1S/C6H11NO3/c1-4-7(5(2)8)6(9)10-3/h4H2,1-3H3
InChIKeyCRWLLTODOZOYMF-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.62
Rot. Bonds1

About methyl N-acetyl-N-ethylcarbamate

methyl N-acetyl-N-ethylcarbamate (PubChem CID 45088067) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl N-acetyl-N-ethylcarbamate.

Molecular Properties

Compound Namemethyl N-acetyl-N-ethylcarbamate
PubChem CID45088067
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl N-acetyl-N-ethylcarbamate
SMILESCCN(C(C)=O)C(=O)OC
InChIInChI=1S/C6H11NO3/c1-4-7(5(2)8)6(9)10-3/h4H2,1-3H3
InChIKeyCRWLLTODOZOYMF-UHFFFAOYSA-N
XLogP0.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-acetyl-N-ethylcarbamate?
The IUPAC name of methyl N-acetyl-N-ethylcarbamate (CID 45088067) is methyl N-acetyl-N-ethylcarbamate.
What is the SMILES notation for methyl N-acetyl-N-ethylcarbamate?
The canonical SMILES for methyl N-acetyl-N-ethylcarbamate is CCN(C(C)=O)C(=O)OC.
What is the InChIKey of methyl N-acetyl-N-ethylcarbamate?
The InChIKey is CRWLLTODOZOYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4-7(5(2)8)6(9)10-3/h4H2,1-3H3.
What are the key properties of methyl N-acetyl-N-ethylcarbamate?
methyl N-acetyl-N-ethylcarbamate has a molecular weight of 145.16 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-acetyl-N-ethylcarbamate is sourced from PubChem (CID 45088067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).