methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-3-carboxylate

C15H19NO5 — CID 104585866

IUPACmethyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNCCCOCc2ccco2)c1
InChIInChI=1S/C15H19NO5/c1-18-15(17)12-8-14(21-10-12)9-16-5-3-6-19-11-13-4-2-7-20-13/h2,4,7-8,10,16H,3,5-6,9,11H2,1H3
InChIKeyHXTFXSFAGBUQBK-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.36
Rot. Bonds9

About methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-3-carboxylate

methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-3-carboxylate (PubChem CID 104585866) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-3-carboxylate
PubChem CID104585866
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namemethyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNCCCOCc2ccco2)c1
InChIInChI=1S/C15H19NO5/c1-18-15(17)12-8-14(21-10-12)9-16-5-3-6-19-11-13-4-2-7-20-13/h2,4,7-8,10,16H,3,5-6,9,11H2,1H3
InChIKeyHXTFXSFAGBUQBK-UHFFFAOYSA-N
XLogP2.36
TPSA73.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate
CID 43232167
methyl 5-[(2-butoxyethylamino)methyl]furan-3-carboxylate
CID 104586125
methyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate
CID 104585806
methyl 5-[(3-cyclohexyloxypropylamino)methyl]furan-3-carboxylate
CID 104585865
3-[[3-(furan-2-ylmethoxy)propylamino]methyl]benzamide
CID 60976249
N-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide
CID 17451443
methyl 4-[[[N-[3-(furan-2-ylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]benzoate
CID 111162239
methyl 5-[(2-cyclopropylethylamino)methyl]furan-3-carboxylate
CID 104586453
methyl 6-[3-(furan-2-ylmethoxy)propylcarbamoyl]pyridine-3-carboxylate
CID 86921232
2,6-difluoro-4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol
CID 79832671
methyl 5-[[2-(2-methoxyphenyl)ethylamino]methyl]furan-3-carboxylate
CID 104585813
methyl 5-[(2-thiophen-3-ylethylamino)methyl]furan-3-carboxylate
CID 104585912

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-3-carboxylate (CID 104585866) is methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-3-carboxylate is COC(=O)c1coc(CNCCCOCc2ccco2)c1.
What is the InChIKey of methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-3-carboxylate?
The InChIKey is HXTFXSFAGBUQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-18-15(17)12-8-14(21-10-12)9-16-5-3-6-19-11-13-4-2-7-20-13/h2,4,7-8,10,16H,3,5-6,9,11H2,1H3.
What are the key properties of methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-3-carboxylate?
methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-3-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-3-carboxylate is sourced from PubChem (CID 104585866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).