benzyl N-(2-hydroxyethyl)-N-methylcarbamate

C11H15NO3 — CID 13279869

IUPACbenzyl N-(2-hydroxyethyl)-N-methylcarbamate
SMILESCN(CCO)C(=O)OCc1ccccc1
InChIInChI=1S/C11H15NO3/c1-12(7-8-13)11(14)15-9-10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3
InChIKeyGMIQMQBHYROSKY-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.25
Rot. Bonds4

About benzyl N-(2-hydroxyethyl)-N-methylcarbamate

benzyl N-(2-hydroxyethyl)-N-methylcarbamate (PubChem CID 13279869) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is benzyl N-(2-hydroxyethyl)-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-(2-hydroxyethyl)-N-methylcarbamate
PubChem CID13279869
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namebenzyl N-(2-hydroxyethyl)-N-methylcarbamate
SMILESCN(CCO)C(=O)OCc1ccccc1
InChIInChI=1S/C11H15NO3/c1-12(7-8-13)11(14)15-9-10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3
InChIKeyGMIQMQBHYROSKY-UHFFFAOYSA-N
XLogP1.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-hydroxyethyl)-N-methylcarbamate?
The IUPAC name of benzyl N-(2-hydroxyethyl)-N-methylcarbamate (CID 13279869) is benzyl N-(2-hydroxyethyl)-N-methylcarbamate.
What is the SMILES notation for benzyl N-(2-hydroxyethyl)-N-methylcarbamate?
The canonical SMILES for benzyl N-(2-hydroxyethyl)-N-methylcarbamate is CN(CCO)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-hydroxyethyl)-N-methylcarbamate?
The InChIKey is GMIQMQBHYROSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-12(7-8-13)11(14)15-9-10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3.
What are the key properties of benzyl N-(2-hydroxyethyl)-N-methylcarbamate?
benzyl N-(2-hydroxyethyl)-N-methylcarbamate has a molecular weight of 209.25 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-hydroxyethyl)-N-methylcarbamate is sourced from PubChem (CID 13279869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).