5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid

C15H15NO4 — CID 75356368

IUPAC5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid
SMILESCc1cccc(CC(=O)NCc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C15H15NO4/c1-10-3-2-4-11(7-10)8-14(17)16-9-12-5-6-13(20-12)15(18)19/h2-7H,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyWHKSOVJNTKYTNZ-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.15
Rot. Bonds5

About 5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid

5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 75356368) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid
PubChem CID75356368
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid
SMILESCc1cccc(CC(=O)NCc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C15H15NO4/c1-10-3-2-4-11(7-10)8-14(17)16-9-12-5-6-13(20-12)15(18)19/h2-7H,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyWHKSOVJNTKYTNZ-UHFFFAOYSA-N
XLogP2.15
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[[2-(3-fluorophenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 84586226
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
3-[[[2-(3-methylphenyl)acetyl]amino]methyl]benzoic acid
CID 62388861
5-[[[2-(9-methylcarbazol-3-yl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 90652793
2-(3-methylphenyl)-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992263
5-[[4-(4-methylphenyl)butanoylamino]methyl]furan-2-carboxylic acid
CID 119245690
5-[[[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 122564412
2-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzoic acid
CID 115923659
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(3-methylphenyl)acetamide
CID 110660404
5-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 120687787
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
5-[[(2-benzylsulfanylacetyl)amino]methyl]furan-2-carboxylic acid
CID 79993972

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid (CID 75356368) is 5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid is Cc1cccc(CC(=O)NCc2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is WHKSOVJNTKYTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-10-3-2-4-11(7-10)8-14(17)16-9-12-5-6-13(20-12)15(18)19/h2-7H,8-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid?
5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 75356368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).