ethyl N,N-diethylcarbamate

C7H15NO2 — CID 19083

IUPACethyl N,N-diethylcarbamate
SMILESCCOC(=O)N(CC)CC
InChIInChI=1S/C7H15NO2/c1-4-8(5-2)7(9)10-6-3/h4-6H2,1-3H3
InChIKeyVAJCYQHLYBTSHG-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.48
Rot. Bonds3

About ethyl N,N-diethylcarbamate

ethyl N,N-diethylcarbamate (PubChem CID 19083) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is ethyl N,N-diethylcarbamate.

Molecular Properties

Compound Nameethyl N,N-diethylcarbamate
PubChem CID19083
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Nameethyl N,N-diethylcarbamate
SMILESCCOC(=O)N(CC)CC
InChIInChI=1S/C7H15NO2/c1-4-8(5-2)7(9)10-6-3/h4-6H2,1-3H3
InChIKeyVAJCYQHLYBTSHG-UHFFFAOYSA-N
XLogP1.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N,N-diethylcarbamate?
The IUPAC name of ethyl N,N-diethylcarbamate (CID 19083) is ethyl N,N-diethylcarbamate.
What is the SMILES notation for ethyl N,N-diethylcarbamate?
The canonical SMILES for ethyl N,N-diethylcarbamate is CCOC(=O)N(CC)CC.
What is the InChIKey of ethyl N,N-diethylcarbamate?
The InChIKey is VAJCYQHLYBTSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-8(5-2)7(9)10-6-3/h4-6H2,1-3H3.
What are the key properties of ethyl N,N-diethylcarbamate?
ethyl N,N-diethylcarbamate has a molecular weight of 145.20 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N,N-diethylcarbamate is sourced from PubChem (CID 19083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).