ethyl N-ethylcarbamate

C5H11NO2 — CID 12195

IUPACethyl N-ethylcarbamate
SMILESCCNC(=O)OCC
InChIInChI=1S/C5H11NO2/c1-3-6-5(7)8-4-2/h3-4H2,1-2H3,(H,6,7)
InChIKeyGZXSDYYWLZERLF-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.75
Rot. Bonds2

About ethyl N-ethylcarbamate

ethyl N-ethylcarbamate (PubChem CID 12195) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is ethyl N-ethylcarbamate.

Molecular Properties

Compound Nameethyl N-ethylcarbamate
PubChem CID12195
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Nameethyl N-ethylcarbamate
SMILESCCNC(=O)OCC
InChIInChI=1S/C5H11NO2/c1-3-6-5(7)8-4-2/h3-4H2,1-2H3,(H,6,7)
InChIKeyGZXSDYYWLZERLF-UHFFFAOYSA-N
XLogP0.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Carbamic acid, N-methyl-, ethyl ester
CID 7752
Methyl ethylcarbamate
CID 448166
Carbamic acid, N-propyl-, ethyl ester
CID 12199
C,C'-Diethyl N,N'-1,2-ethanediylbis(carbamate)
CID 10880
Carbamic acid, N-butyl-, ethyl ester
CID 11577
ethyl N-(2-hydroxyethyl)carbamate
CID 223805
Ethyl isopropylcarbamate
CID 17433
Ethyl 2-chloroethylcarbamate
CID 80621
Isobutyl urethane
CID 10884
Carbamic acid, butyl-, butyl ester
CID 10374900
Carbamic acid, (3-hydroxypropyl)-, ethyl ester, carbamate
CID 21866
methyl N-(2-hydroxyethyl)carbamate
CID 12701621

Frequently Asked Questions

What is the IUPAC name of ethyl N-ethylcarbamate?
The IUPAC name of ethyl N-ethylcarbamate (CID 12195) is ethyl N-ethylcarbamate.
What is the SMILES notation for ethyl N-ethylcarbamate?
The canonical SMILES for ethyl N-ethylcarbamate is CCNC(=O)OCC.
What is the InChIKey of ethyl N-ethylcarbamate?
The InChIKey is GZXSDYYWLZERLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3-6-5(7)8-4-2/h3-4H2,1-2H3,(H,6,7).
What are the key properties of ethyl N-ethylcarbamate?
ethyl N-ethylcarbamate has a molecular weight of 117.15 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethylcarbamate is sourced from PubChem (CID 12195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).