methyl 3-[(N-ethyl-2-methylanilino)methyl]furan-2-carboxylate

C16H19NO3 — CID 78902588

IUPACmethyl 3-[(N-ethyl-2-methylanilino)methyl]furan-2-carboxylate
SMILESCCN(Cc1ccoc1C(=O)OC)c1ccccc1C
InChIInChI=1S/C16H19NO3/c1-4-17(14-8-6-5-7-12(14)2)11-13-9-10-20-15(13)16(18)19-3/h5-10H,4,11H2,1-3H3
InChIKeyYBZGSTOSDXTBPU-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.40
Rot. Bonds5

About methyl 3-[(N-ethyl-2-methylanilino)methyl]furan-2-carboxylate

methyl 3-[(N-ethyl-2-methylanilino)methyl]furan-2-carboxylate (PubChem CID 78902588) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 3-[(N-ethyl-2-methylanilino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(N-ethyl-2-methylanilino)methyl]furan-2-carboxylate
PubChem CID78902588
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 3-[(N-ethyl-2-methylanilino)methyl]furan-2-carboxylate
SMILESCCN(Cc1ccoc1C(=O)OC)c1ccccc1C
InChIInChI=1S/C16H19NO3/c1-4-17(14-8-6-5-7-12(14)2)11-13-9-10-20-15(13)16(18)19-3/h5-10H,4,11H2,1-3H3
InChIKeyYBZGSTOSDXTBPU-UHFFFAOYSA-N
XLogP3.40
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]aniline
CID 62423302
3-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]furan-2-carboxylic acid
CID 107736634
methyl 3-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
CID 62011256
methyl 2-[(N-(2-methoxy-2-oxoethyl)-2-methylanilino)methyl]benzoate
CID 20667410
methyl 3-[(2-ethyl-6-methylanilino)methyl]furan-2-carboxylate
CID 60924016
methyl 3-[[2-aminoethyl(methyl)amino]methyl]furan-2-carboxylate
CID 62688268
methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]furan-2-carboxylate
CID 60806955
N-methyl-2-[2-methyl-N-[(2-methylphenyl)methyl]anilino]acetamide
CID 47092405
methyl 3-[(2-ethylanilino)methyl]furan-2-carboxylate
CID 43425518
5-[(N-ethyl-2-methylanilino)methyl]thiophene-2-carboxylic acid
CID 63378349
methyl 3-[[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]methyl]furan-2-carboxylate
CID 78977603
methyl 3-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]methyl]furan-2-carboxylate
CID 55462277

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(N-ethyl-2-methylanilino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[(N-ethyl-2-methylanilino)methyl]furan-2-carboxylate (CID 78902588) is methyl 3-[(N-ethyl-2-methylanilino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[(N-ethyl-2-methylanilino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[(N-ethyl-2-methylanilino)methyl]furan-2-carboxylate is CCN(Cc1ccoc1C(=O)OC)c1ccccc1C.
What is the InChIKey of methyl 3-[(N-ethyl-2-methylanilino)methyl]furan-2-carboxylate?
The InChIKey is YBZGSTOSDXTBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-4-17(14-8-6-5-7-12(14)2)11-13-9-10-20-15(13)16(18)19-3/h5-10H,4,11H2,1-3H3.
What are the key properties of methyl 3-[(N-ethyl-2-methylanilino)methyl]furan-2-carboxylate?
methyl 3-[(N-ethyl-2-methylanilino)methyl]furan-2-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(N-ethyl-2-methylanilino)methyl]furan-2-carboxylate is sourced from PubChem (CID 78902588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).