methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate

C16H19NO3 — CID 78807669

IUPACmethyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate
SMILESCCN(Cc1ccccc1)Cc1ccc(C(=O)OC)o1
InChIInChI=1S/C16H19NO3/c1-3-17(11-13-7-5-4-6-8-13)12-14-9-10-15(20-14)16(18)19-2/h4-10H,3,11-12H2,1-2H3
InChIKeyMLANFYZJOODAKO-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.09
Rot. Bonds6

About methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate

methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate (PubChem CID 78807669) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate
PubChem CID78807669
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate
SMILESCCN(Cc1ccccc1)Cc1ccc(C(=O)OC)o1
InChIInChI=1S/C16H19NO3/c1-3-17(11-13-7-5-4-6-8-13)12-14-9-10-15(20-14)16(18)19-2/h4-10H,3,11-12H2,1-2H3
InChIKeyMLANFYZJOODAKO-UHFFFAOYSA-N
XLogP3.09
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylate
CID 78807510
methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate
CID 24714243
1-[5-[[benzyl(butyl)amino]methyl]furan-2-yl]ethanone
CID 162741048
N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide
CID 7482215
methyl 5-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylate
CID 106614914
methyl 5-(benzylsulfonylmethyl)furan-2-carboxylate
CID 127244389
methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate
CID 43219084
2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]acetic acid
CID 43354372
methyl 3-amino-4-[[benzyl(ethyl)amino]methyl]benzoate
CID 82165879
methyl 5-[[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-carboxylate
CID 24715033
methyl 5-[[(3-methoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
CID 62012653
5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carboxylic acid
CID 42750653

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate (CID 78807669) is methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate is CCN(Cc1ccccc1)Cc1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate?
The InChIKey is MLANFYZJOODAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-17(11-13-7-5-4-6-8-13)12-14-9-10-15(20-14)16(18)19-2/h4-10H,3,11-12H2,1-2H3.
What are the key properties of methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate?
methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 78807669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).