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

C15H19NO5 — CID 43232167

IUPACmethyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNCCCOCc2ccco2)o1
InChIInChI=1S/C15H19NO5/c1-18-15(17)14-6-5-12(21-14)10-16-7-3-8-19-11-13-4-2-9-20-13/h2,4-6,9,16H,3,7-8,10-11H2,1H3
InChIKeyQHBYMXNETNZRRX-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.36
Rot. Bonds9

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

methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate (PubChem CID 43232167) 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-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate
PubChem CID43232167
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namemethyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNCCCOCc2ccco2)o1
InChIInChI=1S/C15H19NO5/c1-18-15(17)14-6-5-12(21-14)10-16-7-3-8-19-11-13-4-2-9-20-13/h2,4-6,9,16H,3,7-8,10-11H2,1H3
InChIKeyQHBYMXNETNZRRX-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'}

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

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Related Compounds

methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-3-carboxylate
CID 104585866
methyl 5-[[4-(2-methoxyethoxy)butylamino]methyl]furan-2-carboxylate
CID 115905245
N-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide
CID 17451443
methyl 5-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate
CID 43232042
5-[[[N-[3-(furan-2-ylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]furan-2-carboxamide;hydroiodide
CID 111908702
N-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 55073492
methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate
CID 43219084
methyl 4-[[[N-[3-(furan-2-ylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]benzoate
CID 111162239
methyl 5-[(3-methylsulfinylpropylamino)methyl]furan-2-carboxylate
CID 115907598
3-[[3-(furan-2-ylmethoxy)propylamino]methyl]benzamide
CID 60976249
methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate
CID 24714243
N-(cyclopentylmethyl)-3-(furan-2-ylmethoxy)propan-1-amine
CID 62071034

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate (CID 43232167) is methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CNCCCOCc2ccco2)o1.
What is the InChIKey of methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate?
The InChIKey is QHBYMXNETNZRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-18-15(17)14-6-5-12(21-14)10-16-7-3-8-19-11-13-4-2-9-20-13/h2,4-6,9,16H,3,7-8,10-11H2,1H3.
What are the key properties of methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate?
methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-2-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-2-carboxylate is sourced from PubChem (CID 43232167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).