ethyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate

C9H20N2O2 — CID 143172313

IUPACethyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate
SMILESCCOC(=O)N(CC)CCN(C)C
InChIInChI=1S/C9H20N2O2/c1-5-11(8-7-10(3)4)9(12)13-6-2/h5-8H2,1-4H3
InChIKeyCCVGOFMAKFRBNB-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.03
Rot. Bonds5

About ethyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate

ethyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate (PubChem CID 143172313) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is ethyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate.

Molecular Properties

Compound Nameethyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate
PubChem CID143172313
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Nameethyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate
SMILESCCOC(=O)N(CC)CCN(C)C
InChIInChI=1S/C9H20N2O2/c1-5-11(8-7-10(3)4)9(12)13-6-2/h5-8H2,1-4H3
InChIKeyCCVGOFMAKFRBNB-UHFFFAOYSA-N
XLogP1.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate
CID 11777393
3-[ethoxycarbonyl(ethyl)amino]propanoic acid
CID 22758760
methyl 3-[ethoxycarbonyl(ethyl)amino]propanoate
CID 61009915
ethyl N-(2-amino-2-oxoethyl)-N-ethylcarbamate
CID 103104222
ethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate
CID 60652110
2-chloro-N-[2-(dimethylamino)ethyl]-N-ethylacetamide
CID 132888355
ethyl N-ethyl-N-(isocyanatomethyl)carbamate
CID 165346091
ethyl N,N-di(heptadecyl)carbamate
CID 70629745
ethyl N,N-didodecylcarbamate
CID 70629624
ethyl N-[6-[ethoxycarbonyl(octyl)amino]hexyl]-N-octylcarbamate
CID 23053337
methyl N-[2-(dimethylamino)ethyl]-N-propylcarbamate
CID 115612493
[4-(propan-2-ylamino)phenyl]methyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate
CID 171843537

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate?
The IUPAC name of ethyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate (CID 143172313) is ethyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate.
What is the SMILES notation for ethyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate?
The canonical SMILES for ethyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate is CCOC(=O)N(CC)CCN(C)C.
What is the InChIKey of ethyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate?
The InChIKey is CCVGOFMAKFRBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-5-11(8-7-10(3)4)9(12)13-6-2/h5-8H2,1-4H3.
What are the key properties of ethyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate?
ethyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate has a molecular weight of 188.27 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate is sourced from PubChem (CID 143172313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).