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

C15H21NO4 — CID 5235503

IUPACethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
SMILESCCOC(=O)CN(CC(=O)OCC)Cc1ccccc1
InChIInChI=1S/C15H21NO4/c1-3-19-14(17)11-16(12-15(18)20-4-2)10-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
InChIKeyHIZZJSBSOJLOQQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.61
Rot. Bonds8

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

ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate (PubChem CID 5235503) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
PubChem CID5235503
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nameethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
SMILESCCOC(=O)CN(CC(=O)OCC)Cc1ccccc1
InChIInChI=1S/C15H21NO4/c1-3-19-14(17)11-16(12-15(18)20-4-2)10-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
InChIKeyHIZZJSBSOJLOQQ-UHFFFAOYSA-N
XLogP1.61
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[benzyl(2-fluoroethyl)amino]acetate
CID 80602116
ethyl 2-[benzyl-[2-[ethyl(methyl)amino]-2-oxoethyl]amino]acetate
CID 78978637
ethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate
CID 78979113
[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
(3S)-5-[benzyl-(2-ethoxy-2-oxoethyl)amino]-3-methylpentanoic acid
CID 174596375

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate?
The IUPAC name of ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate (CID 5235503) is ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate is CCOC(=O)CN(CC(=O)OCC)Cc1ccccc1.
What is the InChIKey of ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate?
The InChIKey is HIZZJSBSOJLOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-19-14(17)11-16(12-15(18)20-4-2)10-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3.
What are the key properties of ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate?
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate has a molecular weight of 279.34 g/mol, XLogP of 1.61, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 5235503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).