benzyl N-[2-(methylamino)-2-oxoethyl]carbamate

C11H14N2O3 — CID 15159952

IUPACbenzyl N-[2-(methylamino)-2-oxoethyl]carbamate
SMILESCNC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C11H14N2O3/c1-12-10(14)7-13-11(15)16-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,14)(H,13,15)
InChIKeyPPWVKWHLWPSSSF-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.66
Rot. Bonds4

About benzyl N-[2-(methylamino)-2-oxoethyl]carbamate

benzyl N-[2-(methylamino)-2-oxoethyl]carbamate (PubChem CID 15159952) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is benzyl N-[2-(methylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(methylamino)-2-oxoethyl]carbamate
PubChem CID15159952
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namebenzyl N-[2-(methylamino)-2-oxoethyl]carbamate
SMILESCNC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C11H14N2O3/c1-12-10(14)7-13-11(15)16-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,14)(H,13,15)
InChIKeyPPWVKWHLWPSSSF-UHFFFAOYSA-N
XLogP0.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(methylamino)-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-(methylamino)-2-oxoethyl]carbamate (CID 15159952) is benzyl N-[2-(methylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(methylamino)-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-(methylamino)-2-oxoethyl]carbamate is CNC(=O)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(methylamino)-2-oxoethyl]carbamate?
The InChIKey is PPWVKWHLWPSSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-12-10(14)7-13-11(15)16-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,14)(H,13,15).
What are the key properties of benzyl N-[2-(methylamino)-2-oxoethyl]carbamate?
benzyl N-[2-(methylamino)-2-oxoethyl]carbamate has a molecular weight of 222.24 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(methylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 15159952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).