5-[[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid

C18H20N2O5 — CID 120527270

IUPAC5-[[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
SMILESCC(=O)N(CCc1ccccc1)CC(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C18H20N2O5/c1-13(21)20(10-9-14-5-3-2-4-6-14)12-17(22)19-11-15-7-8-16(25-15)18(23)24/h2-8H,9-12H2,1H3,(H,19,22)(H,23,24)
InChIKeyHANKNKQWKFLBHJ-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.69
Rot. Bonds8

About 5-[[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid

5-[[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 120527270) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 5-[[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
PubChem CID120527270
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name5-[[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
SMILESCC(=O)N(CCc1ccccc1)CC(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C18H20N2O5/c1-13(21)20(10-9-14-5-3-2-4-6-14)12-17(22)19-11-15-7-8-16(25-15)18(23)24/h2-8H,9-12H2,1H3,(H,19,22)(H,23,24)
InChIKeyHANKNKQWKFLBHJ-UHFFFAOYSA-N
XLogP1.69
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 79021920
4-[2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]ethyl]benzoic acid
CID 120512997
2-[acetyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113163958
2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 113165276
5-[[4-(4-methylphenyl)butanoylamino]methyl]furan-2-carboxylic acid
CID 119245690
5-[[[2-[methyl(methylsulfonyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 119245685
5-[[3-(4-ethylphenyl)propanoylamino]methyl]furan-2-carboxylic acid
CID 119246024
N-(4-acetamidophenyl)-2-[acetyl(2-phenylethyl)amino]acetamide
CID 113164087
5-[[(2-benzylsulfanylacetyl)amino]methyl]furan-2-carboxylic acid
CID 79993972
5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 75356368
5-(4-phenylbutyl)furan-2-carboxylic acid
CID 86713049
2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120516084

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid (CID 120527270) is 5-[[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid is CC(=O)N(CCc1ccccc1)CC(=O)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is HANKNKQWKFLBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-13(21)20(10-9-14-5-3-2-4-6-14)12-17(22)19-11-15-7-8-16(25-15)18(23)24/h2-8H,9-12H2,1H3,(H,19,22)(H,23,24).
What are the key properties of 5-[[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid?
5-[[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 344.37 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 120527270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).