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

C17H19NO4 — CID 119246063

IUPAC5-[[[2-methyl-2-(2-methylphenyl)propanoyl]amino]methyl]furan-2-carboxylic acid
SMILESCc1ccccc1C(C)(C)C(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C17H19NO4/c1-11-6-4-5-7-13(11)17(2,3)16(21)18-10-12-8-9-14(22-12)15(19)20/h4-9H,10H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyGJFSUBJGOPODHM-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.88
Rot. Bonds5

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

5-[[[2-methyl-2-(2-methylphenyl)propanoyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 119246063) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 5-[[[2-methyl-2-(2-methylphenyl)propanoyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-methyl-2-(2-methylphenyl)propanoyl]amino]methyl]furan-2-carboxylic acid
PubChem CID119246063
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name5-[[[2-methyl-2-(2-methylphenyl)propanoyl]amino]methyl]furan-2-carboxylic acid
SMILESCc1ccccc1C(C)(C)C(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C17H19NO4/c1-11-6-4-5-7-13(11)17(2,3)16(21)18-10-12-8-9-14(22-12)15(19)20/h4-9H,10H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyGJFSUBJGOPODHM-UHFFFAOYSA-N
XLogP2.88
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2-methyl-2-phenylpropanoyl)amino]methyl]furan-2-carboxylic acid
CID 79994106
5-[[[2-(3-chlorophenyl)-2-methylpropanoyl]amino]methyl]furan-2-carboxylic acid
CID 119245730
5-[[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]methyl]furan-2-carboxylic acid
CID 119246277
5-[[(2-methoxy-2-methylpropanoyl)amino]methyl]furan-2-carboxylic acid
CID 103925702
5-[(2,6-dimethylanilino)methyl]furan-2-carboxylic acid
CID 82096130
5-[(2-chloro-3-methylanilino)methyl]furan-2-carboxylic acid
CID 114250964
5-[[(2-methyl-2-piperazin-1-ylpropanoyl)amino]methyl]furan-2-carboxylic acid
CID 80550567
5-[[(2-methyl-2-phenylpropyl)amino]methyl]furan-2-carboxylic acid
CID 63317709
2-methyl-3-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]propanoic acid
CID 119237236
5-[[1-(2-methylphenyl)propan-2-ylamino]methyl]furan-2-carboxylic acid
CID 63317201
5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 75356368
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-methyl-2-(2-methylphenyl)propanoyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[2-methyl-2-(2-methylphenyl)propanoyl]amino]methyl]furan-2-carboxylic acid (CID 119246063) is 5-[[[2-methyl-2-(2-methylphenyl)propanoyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-methyl-2-(2-methylphenyl)propanoyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[2-methyl-2-(2-methylphenyl)propanoyl]amino]methyl]furan-2-carboxylic acid is Cc1ccccc1C(C)(C)C(=O)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[[2-methyl-2-(2-methylphenyl)propanoyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is GJFSUBJGOPODHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-11-6-4-5-7-13(11)17(2,3)16(21)18-10-12-8-9-14(22-12)15(19)20/h4-9H,10H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 5-[[[2-methyl-2-(2-methylphenyl)propanoyl]amino]methyl]furan-2-carboxylic acid?
5-[[[2-methyl-2-(2-methylphenyl)propanoyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-methyl-2-(2-methylphenyl)propanoyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 119246063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).