ethyl N-acetyl-N-ethoxycarbonylcarbamate

C8H13NO5 — CID 4688283

IUPACethyl N-acetyl-N-ethoxycarbonylcarbamate
SMILESCCOC(=O)N(C(C)=O)C(=O)OCC
InChIInChI=1S/C8H13NO5/c1-4-13-7(11)9(6(3)10)8(12)14-5-2/h4-5H2,1-3H3
InChIKeyJZEFJZBFAXFCJP-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.15
Rot. Bonds2

About ethyl N-acetyl-N-ethoxycarbonylcarbamate

ethyl N-acetyl-N-ethoxycarbonylcarbamate (PubChem CID 4688283) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is ethyl N-acetyl-N-ethoxycarbonylcarbamate.

Molecular Properties

Compound Nameethyl N-acetyl-N-ethoxycarbonylcarbamate
PubChem CID4688283
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Nameethyl N-acetyl-N-ethoxycarbonylcarbamate
SMILESCCOC(=O)N(C(C)=O)C(=O)OCC
InChIInChI=1S/C8H13NO5/c1-4-13-7(11)9(6(3)10)8(12)14-5-2/h4-5H2,1-3H3
InChIKeyJZEFJZBFAXFCJP-UHFFFAOYSA-N
XLogP1.15
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-acetyl-N-propanoylcarbamate
CID 121227334
ethyl N,N-diaminocarbamate
CID 54365685
ethyl N-(3-amino-3-oxopropanoyl)-N-ethoxycarbonylcarbamate
CID 151456777
butane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate
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ethyl N-[ethoxycarbonyl(methoxy)amino]-N-methoxycarbamate
CID 86250669
ethyl N-(1-amino-1-hydroxy-2-methylpropan-2-yl)oxycarbonyl-N-carbamoylcarbamate
CID 141080715
ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate
CID 11777393
ethyl N-[bis(ethoxycarbonyl)amino]-N-(trifluoromethyl)carbamate
CID 174359195
ethyl acetate;dihydrochloride
CID 21477582
ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
ethyl acetate;pentahydrate
CID 173286699

Frequently Asked Questions

What is the IUPAC name of ethyl N-acetyl-N-ethoxycarbonylcarbamate?
The IUPAC name of ethyl N-acetyl-N-ethoxycarbonylcarbamate (CID 4688283) is ethyl N-acetyl-N-ethoxycarbonylcarbamate.
What is the SMILES notation for ethyl N-acetyl-N-ethoxycarbonylcarbamate?
The canonical SMILES for ethyl N-acetyl-N-ethoxycarbonylcarbamate is CCOC(=O)N(C(C)=O)C(=O)OCC.
What is the InChIKey of ethyl N-acetyl-N-ethoxycarbonylcarbamate?
The InChIKey is JZEFJZBFAXFCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-4-13-7(11)9(6(3)10)8(12)14-5-2/h4-5H2,1-3H3.
What are the key properties of ethyl N-acetyl-N-ethoxycarbonylcarbamate?
ethyl N-acetyl-N-ethoxycarbonylcarbamate has a molecular weight of 203.19 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-acetyl-N-ethoxycarbonylcarbamate is sourced from PubChem (CID 4688283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).