4-[[2-(2-methoxyethyl)anilino]methyl]-5-methylfuran-2-carboxylic acid

C16H19NO4 — CID 103268805

IUPAC4-[[2-(2-methoxyethyl)anilino]methyl]-5-methylfuran-2-carboxylic acid
SMILESCOCCc1ccccc1NCc1cc(C(=O)O)oc1C
InChIInChI=1S/C16H19NO4/c1-11-13(9-15(21-11)16(18)19)10-17-14-6-4-3-5-12(14)7-8-20-2/h3-6,9,17H,7-8,10H2,1-2H3,(H,18,19)
InChIKeyWAADMHOVZYPTFJ-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.09
Rot. Bonds7

About 4-[[2-(2-methoxyethyl)anilino]methyl]-5-methylfuran-2-carboxylic acid

4-[[2-(2-methoxyethyl)anilino]methyl]-5-methylfuran-2-carboxylic acid (PubChem CID 103268805) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[[2-(2-methoxyethyl)anilino]methyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-methoxyethyl)anilino]methyl]-5-methylfuran-2-carboxylic acid
PubChem CID103268805
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name4-[[2-(2-methoxyethyl)anilino]methyl]-5-methylfuran-2-carboxylic acid
SMILESCOCCc1ccccc1NCc1cc(C(=O)O)oc1C
InChIInChI=1S/C16H19NO4/c1-11-13(9-15(21-11)16(18)19)10-17-14-6-4-3-5-12(14)7-8-20-2/h3-6,9,17H,7-8,10H2,1-2H3,(H,18,19)
InChIKeyWAADMHOVZYPTFJ-UHFFFAOYSA-N
XLogP3.09
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid
CID 103268818
4-[(2,6-diethylanilino)methyl]-5-methylfuran-2-carboxylic acid
CID 103248273
4-[(2,5-dimethylanilino)methyl]-5-methylfuran-2-carboxylic acid
CID 103234879
[5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-yl]methanol
CID 102847721
4-[(2-bromo-5-methoxyanilino)methyl]-5-methylfuran-2-carboxylic acid
CID 103252633
4-[[2-(2-methoxyethyl)anilino]methyl]benzonitrile
CID 102847283
2-fluoro-4-[[2-(2-methoxyethyl)anilino]methyl]phenol
CID 107686073
2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905071
5-methyl-4-[(3-phenoxypropylamino)methyl]furan-2-carboxylic acid
CID 103250021
2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 102847288
2-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 102847704
3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905114

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyethyl)anilino]methyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[[2-(2-methoxyethyl)anilino]methyl]-5-methylfuran-2-carboxylic acid (CID 103268805) is 4-[[2-(2-methoxyethyl)anilino]methyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-methoxyethyl)anilino]methyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[[2-(2-methoxyethyl)anilino]methyl]-5-methylfuran-2-carboxylic acid is COCCc1ccccc1NCc1cc(C(=O)O)oc1C.
What is the InChIKey of 4-[[2-(2-methoxyethyl)anilino]methyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is WAADMHOVZYPTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-11-13(9-15(21-11)16(18)19)10-17-14-6-4-3-5-12(14)7-8-20-2/h3-6,9,17H,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of 4-[[2-(2-methoxyethyl)anilino]methyl]-5-methylfuran-2-carboxylic acid?
4-[[2-(2-methoxyethyl)anilino]methyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyethyl)anilino]methyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 103268805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).