ethyl N-ethyl-N-(methylcarbamoyl)carbamate

C7H14N2O3 — CID 165094929

IUPACethyl N-ethyl-N-(methylcarbamoyl)carbamate
SMILESCCOC(=O)N(CC)C(=O)NC
InChIInChI=1S/C7H14N2O3/c1-4-9(6(10)8-3)7(11)12-5-2/h4-5H2,1-3H3,(H,8,10)
InChIKeyQWQMPVHFTRAIBU-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.80
Rot. Bonds2

About ethyl N-ethyl-N-(methylcarbamoyl)carbamate

ethyl N-ethyl-N-(methylcarbamoyl)carbamate (PubChem CID 165094929) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is ethyl N-ethyl-N-(methylcarbamoyl)carbamate.

Molecular Properties

Compound Nameethyl N-ethyl-N-(methylcarbamoyl)carbamate
PubChem CID165094929
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Nameethyl N-ethyl-N-(methylcarbamoyl)carbamate
SMILESCCOC(=O)N(CC)C(=O)NC
InChIInChI=1S/C7H14N2O3/c1-4-9(6(10)8-3)7(11)12-5-2/h4-5H2,1-3H3,(H,8,10)
InChIKeyQWQMPVHFTRAIBU-UHFFFAOYSA-N
XLogP0.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-ethyl-N-(methylcarbamoyl)carbamate?
The IUPAC name of ethyl N-ethyl-N-(methylcarbamoyl)carbamate (CID 165094929) is ethyl N-ethyl-N-(methylcarbamoyl)carbamate.
What is the SMILES notation for ethyl N-ethyl-N-(methylcarbamoyl)carbamate?
The canonical SMILES for ethyl N-ethyl-N-(methylcarbamoyl)carbamate is CCOC(=O)N(CC)C(=O)NC.
What is the InChIKey of ethyl N-ethyl-N-(methylcarbamoyl)carbamate?
The InChIKey is QWQMPVHFTRAIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-4-9(6(10)8-3)7(11)12-5-2/h4-5H2,1-3H3,(H,8,10).
What are the key properties of ethyl N-ethyl-N-(methylcarbamoyl)carbamate?
ethyl N-ethyl-N-(methylcarbamoyl)carbamate has a molecular weight of 174.20 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethyl-N-(methylcarbamoyl)carbamate is sourced from PubChem (CID 165094929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).