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

C16H17NO6 — CID 120687787

IUPAC5-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]furan-2-carboxylic acid
SMILESCOc1ccc(OC)c(CC(=O)NCc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C16H17NO6/c1-21-11-3-5-13(22-2)10(7-11)8-15(18)17-9-12-4-6-14(23-12)16(19)20/h3-7H,8-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyFIZGAQZZFJHUKF-UHFFFAOYSA-N
MW319.31 g/mol
LogP1.85
Rot. Bonds7

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

5-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 120687787) has the molecular formula C16H17NO6 and a molecular weight of 319.31 g/mol. Its IUPAC name is 5-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]furan-2-carboxylic acid
PubChem CID120687787
Molecular FormulaC16H17NO6
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name5-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]furan-2-carboxylic acid
SMILESCOc1ccc(OC)c(CC(=O)NCc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C16H17NO6/c1-21-11-3-5-13(22-2)10(7-11)8-15(18)17-9-12-4-6-14(23-12)16(19)20/h3-7H,8-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyFIZGAQZZFJHUKF-UHFFFAOYSA-N
XLogP1.85
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046025
2-(2,5-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 78820291
5-[[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]methyl]furan-2-carboxylic acid
CID 119245692
N-[(2,5-dimethoxyphenyl)methyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047187
5-[[[2-(3-fluorophenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 84586226
2-(2,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 78806562
5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 75356368
5-[[3-(2-methoxyphenyl)butanoylamino]methyl]furan-2-carboxylic acid
CID 119245970
2-(2,5-dimethoxyphenyl)-N-methoxyacetamide
CID 78829398
2-(2,5-dimethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 78823018
N'-[2-(2,5-dimethoxyphenyl)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 78822007
2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide
CID 78851833

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]furan-2-carboxylic acid (CID 120687787) is 5-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]furan-2-carboxylic acid is COc1ccc(OC)c(CC(=O)NCc2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is FIZGAQZZFJHUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6/c1-21-11-3-5-13(22-2)10(7-11)8-15(18)17-9-12-4-6-14(23-12)16(19)20/h3-7H,8-9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]furan-2-carboxylic acid?
5-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 319.31 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 120687787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).