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

C12H19NO3 — CID 83057034

IUPACethyl 2-[furan-3-ylmethyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OCC)Cc1ccoc1
InChIInChI=1S/C12H19NO3/c1-3-6-13(9-12(14)16-4-2)8-11-5-7-15-10-11/h5,7,10H,3-4,6,8-9H2,1-2H3
InChIKeyQNMHYGDHGSJYQB-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.05
Rot. Bonds7

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

ethyl 2-[furan-3-ylmethyl(propyl)amino]acetate (PubChem CID 83057034) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 2-[furan-3-ylmethyl(propyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[furan-3-ylmethyl(propyl)amino]acetate
PubChem CID83057034
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nameethyl 2-[furan-3-ylmethyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OCC)Cc1ccoc1
InChIInChI=1S/C12H19NO3/c1-3-6-13(9-12(14)16-4-2)8-11-5-7-15-10-11/h5,7,10H,3-4,6,8-9H2,1-2H3
InChIKeyQNMHYGDHGSJYQB-UHFFFAOYSA-N
XLogP2.05
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate
CID 5151384
ethyl 2-[1,2-oxazol-4-ylmethyl(propyl)amino]acetate
CID 55207786
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
ethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate
CID 62027701
methyl 3-[ethyl(furan-3-ylmethyl)amino]propanoate
CID 78918049
ethyl 2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]acetate
CID 47337990
ethyl 3-(furan-3-yl)-2-oxopropanoate
CID 54299973
ethyl 2-[(4-bromothiophen-2-yl)methyl-propylamino]acetate
CID 62026565
ethyl 2-[benzyl(2-fluoroethyl)amino]acetate
CID 80602116
ethyl 2-[(2-amino-2-oxoethyl)-[(4-methylphenyl)methyl]amino]acetate
CID 47425316
ethyl 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetate
CID 64780042
ethyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 62229761

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[furan-3-ylmethyl(propyl)amino]acetate?
The IUPAC name of ethyl 2-[furan-3-ylmethyl(propyl)amino]acetate (CID 83057034) is ethyl 2-[furan-3-ylmethyl(propyl)amino]acetate.
What is the SMILES notation for ethyl 2-[furan-3-ylmethyl(propyl)amino]acetate?
The canonical SMILES for ethyl 2-[furan-3-ylmethyl(propyl)amino]acetate is CCCN(CC(=O)OCC)Cc1ccoc1.
What is the InChIKey of ethyl 2-[furan-3-ylmethyl(propyl)amino]acetate?
The InChIKey is QNMHYGDHGSJYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-6-13(9-12(14)16-4-2)8-11-5-7-15-10-11/h5,7,10H,3-4,6,8-9H2,1-2H3.
What are the key properties of ethyl 2-[furan-3-ylmethyl(propyl)amino]acetate?
ethyl 2-[furan-3-ylmethyl(propyl)amino]acetate has a molecular weight of 225.29 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[furan-3-ylmethyl(propyl)amino]acetate is sourced from PubChem (CID 83057034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).