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

C15H17NO4 — CID 103233707

IUPAC5-[(2-methoxy-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
SMILESCOc1ccc(C)cc1NCc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C15H17NO4/c1-9-4-5-14(19-3)13(6-9)16-8-11-7-12(15(17)18)10(2)20-11/h4-7,16H,8H2,1-3H3,(H,17,18)
InChIKeyQWGCZWYAASJUDF-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.22
Rot. Bonds5

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

5-[(2-methoxy-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 103233707) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 5-[(2-methoxy-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methoxy-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
PubChem CID103233707
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name5-[(2-methoxy-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
SMILESCOc1ccc(C)cc1NCc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C15H17NO4/c1-9-4-5-14(19-3)13(6-9)16-8-11-7-12(15(17)18)10(2)20-11/h4-7,16H,8H2,1-3H3,(H,17,18)
InChIKeyQWGCZWYAASJUDF-UHFFFAOYSA-N
XLogP3.22
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(2-methoxy-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226452
5-[(2-carbamoyl-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 62306705
5-[[3-(2,4-dimethylphenoxy)propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226434
5-[[[2-(3-methoxy-4-methylphenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226664
methyl 5-[(2-chloro-4-methylanilino)methyl]-2-methylfuran-3-carboxylate
CID 37477190
2-methyl-5-[(2,4,5-trifluoroanilino)methyl]furan-3-carboxylic acid
CID 103249556
5-[(5-chloro-2-fluoroanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 103237912
2-methoxy-5-methyl-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 43761092
5-[(4-carbamoyl-3-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 81261708
N-(furan-2-ylmethyl)-2-methoxy-5-methylaniline
CID 23879682
5-[[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226436
5-[(2,6-dibromo-4-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 103236805

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[(2-methoxy-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid (CID 103233707) is 5-[(2-methoxy-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[(2-methoxy-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[(2-methoxy-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid is COc1ccc(C)cc1NCc1cc(C(=O)O)c(C)o1.
What is the InChIKey of 5-[(2-methoxy-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is QWGCZWYAASJUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-9-4-5-14(19-3)13(6-9)16-8-11-7-12(15(17)18)10(2)20-11/h4-7,16H,8H2,1-3H3,(H,17,18).
What are the key properties of 5-[(2-methoxy-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid?
5-[(2-methoxy-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 103233707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).