ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate

C12H24N2O4 — CID 11777393

IUPACethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate
SMILESCCOC(=O)N(CC)CCN(CC)C(=O)OCC
InChIInChI=1S/C12H24N2O4/c1-5-13(11(15)17-7-3)9-10-14(6-2)12(16)18-8-4/h5-10H2,1-4H3
InChIKeyOQTQMOVNVRFPOV-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.94
Rot. Bonds7

About ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate

ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate (PubChem CID 11777393) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate.

Molecular Properties

Compound Nameethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate
PubChem CID11777393
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Nameethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate
SMILESCCOC(=O)N(CC)CCN(CC)C(=O)OCC
InChIInChI=1S/C12H24N2O4/c1-5-13(11(15)17-7-3)9-10-14(6-2)12(16)18-8-4/h5-10H2,1-4H3
InChIKeyOQTQMOVNVRFPOV-UHFFFAOYSA-N
XLogP1.94
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate
CID 143172313
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-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
ethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate
CID 60652110
ethyl N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
CID 60652174
butyl 2-[ethoxycarbonyl(ethyl)amino]acetate
CID 91714262
ethyl N,N-diaminocarbamate
CID 54365685

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate?
The IUPAC name of ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate (CID 11777393) is ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate.
What is the SMILES notation for ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate?
The canonical SMILES for ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate is CCOC(=O)N(CC)CCN(CC)C(=O)OCC.
What is the InChIKey of ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate?
The InChIKey is OQTQMOVNVRFPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-5-13(11(15)17-7-3)9-10-14(6-2)12(16)18-8-4/h5-10H2,1-4H3.
What are the key properties of ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate?
ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate has a molecular weight of 260.33 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate is sourced from PubChem (CID 11777393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).