methyl 2-[[benzyl(methyl)amino]methyl]furan-3-carboxylate

C15H17NO3 — CID 47018644

IUPACmethyl 2-[[benzyl(methyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN(C)Cc1ccccc1
InChIInChI=1S/C15H17NO3/c1-16(10-12-6-4-3-5-7-12)11-14-13(8-9-19-14)15(17)18-2/h3-9H,10-11H2,1-2H3
InChIKeyJZLSKKVWTNVKJX-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.70
Rot. Bonds5

About methyl 2-[[benzyl(methyl)amino]methyl]furan-3-carboxylate

methyl 2-[[benzyl(methyl)amino]methyl]furan-3-carboxylate (PubChem CID 47018644) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 2-[[benzyl(methyl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[benzyl(methyl)amino]methyl]furan-3-carboxylate
PubChem CID47018644
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 2-[[benzyl(methyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN(C)Cc1ccccc1
InChIInChI=1S/C15H17NO3/c1-16(10-12-6-4-3-5-7-12)11-14-13(8-9-19-14)15(17)18-2/h3-9H,10-11H2,1-2H3
InChIKeyJZLSKKVWTNVKJX-UHFFFAOYSA-N
XLogP2.70
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[benzyl(methyl)amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[benzyl(methyl)amino]methyl]furan-3-carboxylate (CID 47018644) is methyl 2-[[benzyl(methyl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[benzyl(methyl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[benzyl(methyl)amino]methyl]furan-3-carboxylate is COC(=O)c1ccoc1CN(C)Cc1ccccc1.
What is the InChIKey of methyl 2-[[benzyl(methyl)amino]methyl]furan-3-carboxylate?
The InChIKey is JZLSKKVWTNVKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-16(10-12-6-4-3-5-7-12)11-14-13(8-9-19-14)15(17)18-2/h3-9H,10-11H2,1-2H3.
What are the key properties of methyl 2-[[benzyl(methyl)amino]methyl]furan-3-carboxylate?
methyl 2-[[benzyl(methyl)amino]methyl]furan-3-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[benzyl(methyl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 47018644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).