ethyl N-carbamoyl-N-ethylcarbamate

C6H12N2O3 — CID 88869381

IUPACethyl N-carbamoyl-N-ethylcarbamate
SMILESCCOC(=O)N(CC)C(N)=O
InChIInChI=1S/C6H12N2O3/c1-3-8(5(7)9)6(10)11-4-2/h3-4H2,1-2H3,(H2,7,9)
InChIKeyOIRUGDBTOUQCGB-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.54
Rot. Bonds2

About ethyl N-carbamoyl-N-ethylcarbamate

ethyl N-carbamoyl-N-ethylcarbamate (PubChem CID 88869381) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is ethyl N-carbamoyl-N-ethylcarbamate.

Molecular Properties

Compound Nameethyl N-carbamoyl-N-ethylcarbamate
PubChem CID88869381
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Nameethyl N-carbamoyl-N-ethylcarbamate
SMILESCCOC(=O)N(CC)C(N)=O
InChIInChI=1S/C6H12N2O3/c1-3-8(5(7)9)6(10)11-4-2/h3-4H2,1-2H3,(H2,7,9)
InChIKeyOIRUGDBTOUQCGB-UHFFFAOYSA-N
XLogP0.54
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-carbamoyl-N-ethylcarbamate?
The IUPAC name of ethyl N-carbamoyl-N-ethylcarbamate (CID 88869381) is ethyl N-carbamoyl-N-ethylcarbamate.
What is the SMILES notation for ethyl N-carbamoyl-N-ethylcarbamate?
The canonical SMILES for ethyl N-carbamoyl-N-ethylcarbamate is CCOC(=O)N(CC)C(N)=O.
What is the InChIKey of ethyl N-carbamoyl-N-ethylcarbamate?
The InChIKey is OIRUGDBTOUQCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-3-8(5(7)9)6(10)11-4-2/h3-4H2,1-2H3,(H2,7,9).
What are the key properties of ethyl N-carbamoyl-N-ethylcarbamate?
ethyl N-carbamoyl-N-ethylcarbamate has a molecular weight of 160.17 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-carbamoyl-N-ethylcarbamate is sourced from PubChem (CID 88869381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).