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

C18H19NO6 — CID 120687185

IUPAC5-[[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCOc1ccc(C(=O)CCC(=O)NCc2cc(C(=O)O)c(C)o2)cc1
InChIInChI=1S/C18H19NO6/c1-11-15(18(22)23)9-14(25-11)10-19-17(21)8-7-16(20)12-3-5-13(24-2)6-4-12/h3-6,9H,7-8,10H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyKEKKUPMMCLQZCF-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.57
Rot. Bonds8

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

5-[[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 120687185) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is 5-[[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID120687185
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name5-[[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCOc1ccc(C(=O)CCC(=O)NCc2cc(C(=O)O)c(C)o2)cc1
InChIInChI=1S/C18H19NO6/c1-11-15(18(22)23)9-14(25-11)10-19-17(21)8-7-16(20)12-3-5-13(24-2)6-4-12/h3-6,9H,7-8,10H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyKEKKUPMMCLQZCF-UHFFFAOYSA-N
XLogP2.57
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]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-[(4-methylpentanoylamino)methyl]furan-3-carboxylic acid
CID 54907438
5-[(4-methoxypentanoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 113382102
5-[[2-(4-methoxyphenyl)butanoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120687189
5-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120523853
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 26695901
4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
CID 20969140
5-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226452
5-[[[2-(3-methoxy-4-methylphenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226664
2-methyl-5-[[3-(2-methylphenyl)propanoylamino]methyl]furan-3-carboxylic acid
CID 119226401
5-[[3-(2,4-dimethylphenoxy)propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226434
5-[[(4-butoxy-3-methoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226761
5-[[(2-butoxyacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226536

Frequently Asked Questions

What is the IUPAC name of 5-[[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid (CID 120687185) is 5-[[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid is COc1ccc(C(=O)CCC(=O)NCc2cc(C(=O)O)c(C)o2)cc1.
What is the InChIKey of 5-[[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is KEKKUPMMCLQZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6/c1-11-15(18(22)23)9-14(25-11)10-19-17(21)8-7-16(20)12-3-5-13(24-2)6-4-12/h3-6,9H,7-8,10H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 5-[[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 345.35 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 120687185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).