ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate

C16H19NO3 — CID 5151384

IUPACethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)Cc1ccoc1
InChIInChI=1S/C16H19NO3/c1-2-20-16(18)12-17(11-15-8-9-19-13-15)10-14-6-4-3-5-7-14/h3-9,13H,2,10-12H2,1H3
InChIKeyYUMRPNSPZSKTLI-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.84
Rot. Bonds7

About ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate

ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate (PubChem CID 5151384) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate
PubChem CID5151384
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Nameethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)Cc1ccoc1
InChIInChI=1S/C16H19NO3/c1-2-20-16(18)12-17(11-15-8-9-19-13-15)10-14-6-4-3-5-7-14/h3-9,13H,2,10-12H2,1H3
InChIKeyYUMRPNSPZSKTLI-UHFFFAOYSA-N
XLogP2.84
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 83057034
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
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CID 3821334
ethyl 2-[benzyl(2-fluoroethyl)amino]acetate
CID 80602116
ethyl 2-[benzyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]acetate
CID 78962416
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(cyanomethyl)amino]acetate
CID 78977806
ethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate
CID 78957165
4-[benzyl-(2-ethoxy-2-oxoethyl)amino]-2-ethylbutanoic acid
CID 175214762
ethyl 2-[benzyl(pyrrolidin-1-ylmethyl)amino]acetate
CID 174861955

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate?
The IUPAC name of ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate (CID 5151384) is ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate?
The canonical SMILES for ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate is CCOC(=O)CN(Cc1ccccc1)Cc1ccoc1.
What is the InChIKey of ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate?
The InChIKey is YUMRPNSPZSKTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-2-20-16(18)12-17(11-15-8-9-19-13-15)10-14-6-4-3-5-7-14/h3-9,13H,2,10-12H2,1H3.
What are the key properties of ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate?
ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate has a molecular weight of 273.33 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate is sourced from PubChem (CID 5151384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).