ethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate

C14H20N2O3 — CID 78979113

IUPACethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate
SMILESCCOC(=O)CN(CC(=O)NC)Cc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-19-14(18)11-16(10-13(17)15-2)9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,15,17)
InChIKeyQNXBPAIHODWCKH-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.80
Rot. Bonds7

About ethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate

ethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate (PubChem CID 78979113) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate
PubChem CID78979113
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate
SMILESCCOC(=O)CN(CC(=O)NC)Cc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-19-14(18)11-16(10-13(17)15-2)9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,15,17)
InChIKeyQNXBPAIHODWCKH-UHFFFAOYSA-N
XLogP0.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
ethyl 2-[benzyl(2-fluoroethyl)amino]acetate
CID 80602116
3-[benzyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
CID 82330019
ethyl 2-[benzyl-[2-[ethyl(methyl)amino]-2-oxoethyl]amino]acetate
CID 78978637
[4-[[bis(2-ethoxy-2-oxoethyl)amino]methyl]phenyl]-diphenylsulfanium
CID 160930446
ethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate
CID 78957165
ethyl 2-[benzyl(cyanomethyl)amino]acetate
CID 78977806
ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate
CID 5151384
ethyl 2-[benzyl(pyrrolidin-1-ylmethyl)amino]acetate
CID 174861955
ethyl 2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]acetate
CID 3821334
4-[benzyl-(2-ethoxy-2-oxoethyl)amino]-2-ethylbutanoic acid
CID 175214762
ethyl 2-[benzyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]acetate
CID 78962416

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate?
The IUPAC name of ethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate (CID 78979113) is ethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate?
The canonical SMILES for ethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate is CCOC(=O)CN(CC(=O)NC)Cc1ccccc1.
What is the InChIKey of ethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate?
The InChIKey is QNXBPAIHODWCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-19-14(18)11-16(10-13(17)15-2)9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,15,17).
What are the key properties of ethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate?
ethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate has a molecular weight of 264.32 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate is sourced from PubChem (CID 78979113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).