benzyl N-methyl-N-(2-oxoethyl)carbamate

C11H13NO3 — CID 12010768

IUPACbenzyl N-methyl-N-(2-oxoethyl)carbamate
SMILESCN(CC=O)C(=O)OCc1ccccc1
InChIInChI=1S/C11H13NO3/c1-12(7-8-13)11(14)15-9-10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3
InChIKeyULSOLOBYKJRHGB-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.45
Rot. Bonds4

About benzyl N-methyl-N-(2-oxoethyl)carbamate

benzyl N-methyl-N-(2-oxoethyl)carbamate (PubChem CID 12010768) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is benzyl N-methyl-N-(2-oxoethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-(2-oxoethyl)carbamate
PubChem CID12010768
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namebenzyl N-methyl-N-(2-oxoethyl)carbamate
SMILESCN(CC=O)C(=O)OCc1ccccc1
InChIInChI=1S/C11H13NO3/c1-12(7-8-13)11(14)15-9-10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3
InChIKeyULSOLOBYKJRHGB-UHFFFAOYSA-N
XLogP1.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-(2-oxoethyl)carbamate?
The IUPAC name of benzyl N-methyl-N-(2-oxoethyl)carbamate (CID 12010768) is benzyl N-methyl-N-(2-oxoethyl)carbamate.
What is the SMILES notation for benzyl N-methyl-N-(2-oxoethyl)carbamate?
The canonical SMILES for benzyl N-methyl-N-(2-oxoethyl)carbamate is CN(CC=O)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-methyl-N-(2-oxoethyl)carbamate?
The InChIKey is ULSOLOBYKJRHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-12(7-8-13)11(14)15-9-10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3.
What are the key properties of benzyl N-methyl-N-(2-oxoethyl)carbamate?
benzyl N-methyl-N-(2-oxoethyl)carbamate has a molecular weight of 207.23 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-(2-oxoethyl)carbamate is sourced from PubChem (CID 12010768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).