ethyl N,N-dimethylcarbamate

C5H11NO2 — CID 12709

IUPACethyl N,N-dimethylcarbamate
SMILESCCOC(=O)N(C)C
InChIInChI=1S/C5H11NO2/c1-4-8-5(7)6(2)3/h4H2,1-3H3
InChIKeySUDHEDJJFGYYPL-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.70
Rot. Bonds1

About ethyl N,N-dimethylcarbamate

ethyl N,N-dimethylcarbamate (PubChem CID 12709) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is ethyl N,N-dimethylcarbamate.

Molecular Properties

Compound Nameethyl N,N-dimethylcarbamate
PubChem CID12709
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Nameethyl N,N-dimethylcarbamate
SMILESCCOC(=O)N(C)C
InChIInChI=1S/C5H11NO2/c1-4-8-5(7)6(2)3/h4H2,1-3H3
InChIKeySUDHEDJJFGYYPL-UHFFFAOYSA-N
XLogP0.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl diethylcarbamate
CID 19083
Ethyl N-methoxy-N-methylcarbamate
CID 533715
N-Acetoxymethyl-N-methylformamide
CID 164861
Isopropyl dimethylcarbamate
CID 95685
Carbamic acid, cyanomethyl-, ethyl ester
CID 109009
ethyl N-(chlorocarbonyl)-N-methylcarbamate
CID 12772347
2-bromoethyl N,N-dimethylcarbamate
CID 13179983
2-Fluoroethyl N,N-dimethylcarbamate
CID 89344688
Carbamic acid, dimethyl-, butyl ester
CID 4254211
Carbamic acid, ethylmethyl-, ethyl ester
CID 20062878
Carbamic acid, N,N-dimethyl-, 2-methoxyethyl ester
CID 3084950
Bis(chloromethyl)urethane
CID 11171408

Frequently Asked Questions

What is the IUPAC name of ethyl N,N-dimethylcarbamate?
The IUPAC name of ethyl N,N-dimethylcarbamate (CID 12709) is ethyl N,N-dimethylcarbamate.
What is the SMILES notation for ethyl N,N-dimethylcarbamate?
The canonical SMILES for ethyl N,N-dimethylcarbamate is CCOC(=O)N(C)C.
What is the InChIKey of ethyl N,N-dimethylcarbamate?
The InChIKey is SUDHEDJJFGYYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-4-8-5(7)6(2)3/h4H2,1-3H3.
What are the key properties of ethyl N,N-dimethylcarbamate?
ethyl N,N-dimethylcarbamate has a molecular weight of 117.15 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N,N-dimethylcarbamate is sourced from PubChem (CID 12709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).