ethyl 3-(diethylcarbamoyloxy)-2-methylpropanoate

C11H21NO4 — CID 122517581

IUPACethyl 3-(diethylcarbamoyloxy)-2-methylpropanoate
SMILESCCOC(=O)C(C)COC(=O)N(CC)CC
InChIInChI=1S/C11H21NO4/c1-5-12(6-2)11(14)16-8-9(4)10(13)15-7-3/h9H,5-8H2,1-4H3
InChIKeyNXNXOKIABSPUFR-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.66
Rot. Bonds6

About ethyl 3-(diethylcarbamoyloxy)-2-methylpropanoate

ethyl 3-(diethylcarbamoyloxy)-2-methylpropanoate (PubChem CID 122517581) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 3-(diethylcarbamoyloxy)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-(diethylcarbamoyloxy)-2-methylpropanoate
PubChem CID122517581
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nameethyl 3-(diethylcarbamoyloxy)-2-methylpropanoate
SMILESCCOC(=O)C(C)COC(=O)N(CC)CC
InChIInChI=1S/C11H21NO4/c1-5-12(6-2)11(14)16-8-9(4)10(13)15-7-3/h9H,5-8H2,1-4H3
InChIKeyNXNXOKIABSPUFR-UHFFFAOYSA-N
XLogP1.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(diethylcarbamoyloxy)-2-hydroxypropyl] N,N-diethylcarbamate
CID 10684919
ethyl 3-butanoyloxy-2-methylpropanoate
CID 174484909
ethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxycarbonyloxy-2-methylpropanoate
CID 58928740
ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate
CID 11777393
2-methylpropyl N-ethyl-N-tetradecylcarbamate
CID 58096503
ethyl N-(4-chloro-2-methyl-3-oxobutyl)-N-ethylcarbamate
CID 104701261
[4-(diethylamino)-3-methyl-4-oxobutyl] N,N-diethylcarbamate
CID 122517637
ethyl 2-(diethylcarbamoyloxy)-3,3-dimethylbutanoate
CID 122517635
ethane;ethyl 2-methylbutanoate
CID 144747106
ethyl (2R,4R)-2,4-dimethylhexanoate
CID 143853541
ethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate
CID 174901087
ethyl 3-(2-methoxyethoxy)-2-methylpropanoate
CID 114997793

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(diethylcarbamoyloxy)-2-methylpropanoate?
The IUPAC name of ethyl 3-(diethylcarbamoyloxy)-2-methylpropanoate (CID 122517581) is ethyl 3-(diethylcarbamoyloxy)-2-methylpropanoate.
What is the SMILES notation for ethyl 3-(diethylcarbamoyloxy)-2-methylpropanoate?
The canonical SMILES for ethyl 3-(diethylcarbamoyloxy)-2-methylpropanoate is CCOC(=O)C(C)COC(=O)N(CC)CC.
What is the InChIKey of ethyl 3-(diethylcarbamoyloxy)-2-methylpropanoate?
The InChIKey is NXNXOKIABSPUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-5-12(6-2)11(14)16-8-9(4)10(13)15-7-3/h9H,5-8H2,1-4H3.
What are the key properties of ethyl 3-(diethylcarbamoyloxy)-2-methylpropanoate?
ethyl 3-(diethylcarbamoyloxy)-2-methylpropanoate has a molecular weight of 231.29 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(diethylcarbamoyloxy)-2-methylpropanoate is sourced from PubChem (CID 122517581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).