methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate

C17H17NO5 — CID 24714243

IUPACmethyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN(Cc2ccco2)Cc2ccco2)o1
InChIInChI=1S/C17H17NO5/c1-20-17(19)16-7-6-15(23-16)12-18(10-13-4-2-8-21-13)11-14-5-3-9-22-14/h2-9H,10-12H2,1H3
InChIKeyNQHOPWSPWSTGMQ-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.45
Rot. Bonds7

About methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate

methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate (PubChem CID 24714243) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate
PubChem CID24714243
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Namemethyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN(Cc2ccco2)Cc2ccco2)o1
InChIInChI=1S/C17H17NO5/c1-20-17(19)16-7-6-15(23-16)12-18(10-13-4-2-8-21-13)11-14-5-3-9-22-14/h2-9H,10-12H2,1H3
InChIKeyNQHOPWSPWSTGMQ-UHFFFAOYSA-N
XLogP3.45
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate
CID 78807669
methyl 5-[[[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate
CID 19615013
methyl 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-fluorobenzoate
CID 103749274
methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate
CID 43232167
methyl 5-[[(3-methoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
CID 62012653
methyl 5-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylate
CID 78807510
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161
2-[bis(furan-2-ylmethyl)amino]-N-methylacetamide
CID 27118866
methyl 5-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 78807455
methyl 5-[[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 78899836
methyl 5-[[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-carboxylate
CID 24715033
methyl 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]furan-2-carboxylate
CID 79661260

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate (CID 24714243) is methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CN(Cc2ccco2)Cc2ccco2)o1.
What is the InChIKey of methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate?
The InChIKey is NQHOPWSPWSTGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-20-17(19)16-7-6-15(23-16)12-18(10-13-4-2-8-21-13)11-14-5-3-9-22-14/h2-9H,10-12H2,1H3.
What are the key properties of methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate?
methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate has a molecular weight of 315.33 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 24714243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).