ethyl 2-[benzyl(methyl)amino]acetate

C12H17NO2 — CID 11031023

IUPACethyl 2-[benzyl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)Cc1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-15-12(14)10-13(2)9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChIKeyQXCRMVOWILEYQF-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.68
Rot. Bonds5

About ethyl 2-[benzyl(methyl)amino]acetate

ethyl 2-[benzyl(methyl)amino]acetate (PubChem CID 11031023) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is ethyl 2-[benzyl(methyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl(methyl)amino]acetate
PubChem CID11031023
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameethyl 2-[benzyl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)Cc1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-15-12(14)10-13(2)9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChIKeyQXCRMVOWILEYQF-UHFFFAOYSA-N
XLogP1.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl(methyl)amino]acetate?
The IUPAC name of ethyl 2-[benzyl(methyl)amino]acetate (CID 11031023) is ethyl 2-[benzyl(methyl)amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl(methyl)amino]acetate?
The canonical SMILES for ethyl 2-[benzyl(methyl)amino]acetate is CCOC(=O)CN(C)Cc1ccccc1.
What is the InChIKey of ethyl 2-[benzyl(methyl)amino]acetate?
The InChIKey is QXCRMVOWILEYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-15-12(14)10-13(2)9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3.
What are the key properties of ethyl 2-[benzyl(methyl)amino]acetate?
ethyl 2-[benzyl(methyl)amino]acetate has a molecular weight of 207.27 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl(methyl)amino]acetate is sourced from PubChem (CID 11031023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).