5-[[3-[acetyl(benzyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid

C19H22N2O5 — CID 119226359

IUPAC5-[[3-[acetyl(benzyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCC(=O)N(CCC(=O)NCc1cc(C(=O)O)c(C)o1)Cc1ccccc1
InChIInChI=1S/C19H22N2O5/c1-13-17(19(24)25)10-16(26-13)11-20-18(23)8-9-21(14(2)22)12-15-6-4-3-5-7-15/h3-7,10H,8-9,11-12H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyUEKBICUOMIFUGE-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.34
Rot. Bonds8

About 5-[[3-[acetyl(benzyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[3-[acetyl(benzyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 119226359) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 5-[[3-[acetyl(benzyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[3-[acetyl(benzyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID119226359
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name5-[[3-[acetyl(benzyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCC(=O)N(CCC(=O)NCc1cc(C(=O)O)c(C)o1)Cc1ccccc1
InChIInChI=1S/C19H22N2O5/c1-13-17(19(24)25)10-16(26-13)11-20-18(23)8-9-21(14(2)22)12-15-6-4-3-5-7-15/h3-7,10H,8-9,11-12H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyUEKBICUOMIFUGE-UHFFFAOYSA-N
XLogP2.34
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118207
2-methyl-5-[[3-(2-methylphenyl)propanoylamino]methyl]furan-3-carboxylic acid
CID 119226401
2-methyl-5-[[4-(4-methylphenyl)butanoylamino]methyl]furan-3-carboxylic acid
CID 119226205
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113118743
2-methyl-5-[(4-methylpentanoylamino)methyl]furan-3-carboxylic acid
CID 54907438
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113119260
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118570
5-[[(2-benzyl-3-methylbutanoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226734
5-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226813
2-methyl-5-[[3-(4-propan-2-ylphenyl)propanoylamino]methyl]furan-3-carboxylic acid
CID 119226788
5-[[[2-(2,6-dimethylphenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120687190
5-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023784

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[acetyl(benzyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[3-[acetyl(benzyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 119226359) is 5-[[3-[acetyl(benzyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[3-[acetyl(benzyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[3-[acetyl(benzyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid is CC(=O)N(CCC(=O)NCc1cc(C(=O)O)c(C)o1)Cc1ccccc1.
What is the InChIKey of 5-[[3-[acetyl(benzyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is UEKBICUOMIFUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-13-17(19(24)25)10-16(26-13)11-20-18(23)8-9-21(14(2)22)12-15-6-4-3-5-7-15/h3-7,10H,8-9,11-12H2,1-2H3,(H,20,23)(H,24,25).
What are the key properties of 5-[[3-[acetyl(benzyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[3-[acetyl(benzyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 358.39 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[acetyl(benzyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 119226359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).