3-[[2-ethoxyethyl(ethyl)amino]methyl]furan-2-carboxylic acid

C12H19NO4 — CID 63698086

IUPAC3-[[2-ethoxyethyl(ethyl)amino]methyl]furan-2-carboxylic acid
SMILESCCOCCN(CC)Cc1ccoc1C(=O)O
InChIInChI=1S/C12H19NO4/c1-3-13(6-8-16-4-2)9-10-5-7-17-11(10)12(14)15/h5,7H,3-4,6,8-9H2,1-2H3,(H,14,15)
InChIKeyVARSZKMFUSNSJI-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.84
Rot. Bonds8

About 3-[[2-ethoxyethyl(ethyl)amino]methyl]furan-2-carboxylic acid

3-[[2-ethoxyethyl(ethyl)amino]methyl]furan-2-carboxylic acid (PubChem CID 63698086) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[[2-ethoxyethyl(ethyl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-ethoxyethyl(ethyl)amino]methyl]furan-2-carboxylic acid
PubChem CID63698086
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name3-[[2-ethoxyethyl(ethyl)amino]methyl]furan-2-carboxylic acid
SMILESCCOCCN(CC)Cc1ccoc1C(=O)O
InChIInChI=1S/C12H19NO4/c1-3-13(6-8-16-4-2)9-10-5-7-17-11(10)12(14)15/h5,7H,3-4,6,8-9H2,1-2H3,(H,14,15)
InChIKeyVARSZKMFUSNSJI-UHFFFAOYSA-N
XLogP1.84
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[ethyl(2-methylpropyl)amino]methyl]furan-2-carboxylic acid
CID 43273897
3-(ethoxymethyl)furan-2-carboxylic acid
CID 43153128
3-[[methyl(2-methylbutan-2-yl)amino]methyl]furan-2-carboxylic acid
CID 63964404
3-[3-[3-(2-carboxyfuran-3-yl)propoxy]propyl]furan-2-carboxylic acid
CID 173422535
N-[(2-bromo-5-methoxyphenyl)methyl]-2-ethoxy-N-ethylethanamine
CID 65325974
3-(heptoxymethyl)furan-2-carboxylic acid
CID 43153152
3-(diethoxyphosphorylmethyl)furan-2-carboxylic acid
CID 18414987
3-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]furan-2-carboxylic acid
CID 103240283
3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]furan-2-carboxylic acid
CID 103263564
4-[[bis(2-ethoxyethyl)amino]methyl]-5-methylthiophene-2-carboxylic acid
CID 82937516
3-(but-2-enoxymethyl)furan-2-carboxylic acid
CID 76938194
3-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]furan-2-carboxylic acid
CID 107736634

Frequently Asked Questions

What is the IUPAC name of 3-[[2-ethoxyethyl(ethyl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[[2-ethoxyethyl(ethyl)amino]methyl]furan-2-carboxylic acid (CID 63698086) is 3-[[2-ethoxyethyl(ethyl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[[2-ethoxyethyl(ethyl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[[2-ethoxyethyl(ethyl)amino]methyl]furan-2-carboxylic acid is CCOCCN(CC)Cc1ccoc1C(=O)O.
What is the InChIKey of 3-[[2-ethoxyethyl(ethyl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is VARSZKMFUSNSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-3-13(6-8-16-4-2)9-10-5-7-17-11(10)12(14)15/h5,7H,3-4,6,8-9H2,1-2H3,(H,14,15).
What are the key properties of 3-[[2-ethoxyethyl(ethyl)amino]methyl]furan-2-carboxylic acid?
3-[[2-ethoxyethyl(ethyl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-ethoxyethyl(ethyl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 63698086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).