5-[(2-methoxy-N-methylanilino)methyl]furan-3-carboxylic acid

C14H15NO4 — CID 62269776

IUPAC5-[(2-methoxy-N-methylanilino)methyl]furan-3-carboxylic acid
SMILESCOc1ccccc1N(C)Cc1cc(C(=O)O)co1
InChIInChI=1S/C14H15NO4/c1-15(12-5-3-4-6-13(12)18-2)8-11-7-10(9-19-11)14(16)17/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyZGZCZWXXLKBLIQ-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.62
Rot. Bonds5

About 5-[(2-methoxy-N-methylanilino)methyl]furan-3-carboxylic acid

5-[(2-methoxy-N-methylanilino)methyl]furan-3-carboxylic acid (PubChem CID 62269776) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-[(2-methoxy-N-methylanilino)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methoxy-N-methylanilino)methyl]furan-3-carboxylic acid
PubChem CID62269776
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name5-[(2-methoxy-N-methylanilino)methyl]furan-3-carboxylic acid
SMILESCOc1ccccc1N(C)Cc1cc(C(=O)O)co1
InChIInChI=1S/C14H15NO4/c1-15(12-5-3-4-6-13(12)18-2)8-11-7-10(9-19-11)14(16)17/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyZGZCZWXXLKBLIQ-UHFFFAOYSA-N
XLogP2.62
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid
CID 104607925
4-fluoro-2-[(2-methoxy-N-methylanilino)methyl]benzoic acid
CID 107907694
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-2-methoxy-N-methylaniline
CID 62430923
3-[(N,2-dimethylanilino)methyl]-4-methoxybenzoic acid
CID 62018600
5-[(4-methoxy-1,3-dihydroisoindol-2-yl)methyl]furan-3-carboxylic acid
CID 146136798
5-[[(2-bromophenyl)methyl-methylamino]methyl]furan-3-carboxylic acid
CID 55053760
5-[(2-ethylphenoxy)methyl]furan-3-carboxylic acid
CID 55055885
4-(2-methoxy-N-methylanilino)-2,2-dimethylbutanoic acid
CID 65247680
5-[[cyclopentyl(methyl)amino]methyl]furan-3-carboxylic acid
CID 62267288
4-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]benzoic acid
CID 82123949
5-[[methyl(pentan-3-yl)amino]methyl]furan-3-carboxylic acid
CID 62268700
5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-carboxylic acid
CID 62268004

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-N-methylanilino)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(2-methoxy-N-methylanilino)methyl]furan-3-carboxylic acid (CID 62269776) is 5-[(2-methoxy-N-methylanilino)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(2-methoxy-N-methylanilino)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(2-methoxy-N-methylanilino)methyl]furan-3-carboxylic acid is COc1ccccc1N(C)Cc1cc(C(=O)O)co1.
What is the InChIKey of 5-[(2-methoxy-N-methylanilino)methyl]furan-3-carboxylic acid?
The InChIKey is ZGZCZWXXLKBLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-15(12-5-3-4-6-13(12)18-2)8-11-7-10(9-19-11)14(16)17/h3-7,9H,8H2,1-2H3,(H,16,17).
What are the key properties of 5-[(2-methoxy-N-methylanilino)methyl]furan-3-carboxylic acid?
5-[(2-methoxy-N-methylanilino)methyl]furan-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-N-methylanilino)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 62269776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).