5-[[2-(4-methoxyphenyl)butanoylamino]methyl]-2-methylfuran-3-carboxylic acid

C18H21NO5 — CID 120687189

IUPAC5-[[2-(4-methoxyphenyl)butanoylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCCC(C(=O)NCc1cc(C(=O)O)c(C)o1)c1ccc(OC)cc1
InChIInChI=1S/C18H21NO5/c1-4-15(12-5-7-13(23-3)8-6-12)17(20)19-10-14-9-16(18(21)22)11(2)24-14/h5-9,15H,4,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyBOJPCRUUJDVFJW-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.10
Rot. Bonds7

About 5-[[2-(4-methoxyphenyl)butanoylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[2-(4-methoxyphenyl)butanoylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 120687189) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is 5-[[2-(4-methoxyphenyl)butanoylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(4-methoxyphenyl)butanoylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID120687189
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name5-[[2-(4-methoxyphenyl)butanoylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCCC(C(=O)NCc1cc(C(=O)O)c(C)o1)c1ccc(OC)cc1
InChIInChI=1S/C18H21NO5/c1-4-15(12-5-7-13(23-3)8-6-12)17(20)19-10-14-9-16(18(21)22)11(2)24-14/h5-9,15H,4,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyBOJPCRUUJDVFJW-UHFFFAOYSA-N
XLogP3.10
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[2-(4-methoxyphenyl)butanoylamino]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

2-methyl-5-[[[(2S,3R)-3-methyl-2-phenylpentanoyl]amino]methyl]furan-3-carboxylic acid
CID 97191871
5-[[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120687185
5-[(4-methoxyphenyl)sulfanylmethyl]-2-methylfuran-3-carboxylic acid
CID 43416939
5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 103258045
5-[[(2-methoxy-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120523820
2-methyl-5-[[2-(4-methylsulfanylphenoxy)propanoylamino]methyl]furan-3-carboxylic acid
CID 119226845
5-[(2-amino-5-methoxyphenyl)sulfanylmethyl]-2-methylfuran-3-carboxylic acid
CID 79511165
2-[[2-(4-methoxyphenyl)butanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120687741
5-[[(4-butoxy-3-methoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226761
5-[[2-(1-benzofuran-2-yl)propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 75472197
6-[2-(4-methoxyphenyl)butanoylamino]hexanoic acid
CID 120686933
5-[[(2-benzyl-3-methylbutanoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226734

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-methoxyphenyl)butanoylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[2-(4-methoxyphenyl)butanoylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 120687189) is 5-[[2-(4-methoxyphenyl)butanoylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(4-methoxyphenyl)butanoylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[2-(4-methoxyphenyl)butanoylamino]methyl]-2-methylfuran-3-carboxylic acid is CCC(C(=O)NCc1cc(C(=O)O)c(C)o1)c1ccc(OC)cc1.
What is the InChIKey of 5-[[2-(4-methoxyphenyl)butanoylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is BOJPCRUUJDVFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-4-15(12-5-7-13(23-3)8-6-12)17(20)19-10-14-9-16(18(21)22)11(2)24-14/h5-9,15H,4,10H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 5-[[2-(4-methoxyphenyl)butanoylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[2-(4-methoxyphenyl)butanoylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 331.37 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-methoxyphenyl)butanoylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 120687189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).