5-[[[3-(dimethylamino)benzoyl]amino]methyl]furan-2-carboxylic acid

C15H16N2O4 — CID 79993469

IUPAC5-[[[3-(dimethylamino)benzoyl]amino]methyl]furan-2-carboxylic acid
SMILESCN(C)c1cccc(C(=O)NCc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C15H16N2O4/c1-17(2)11-5-3-4-10(8-11)14(18)16-9-12-6-7-13(21-12)15(19)20/h3-8H,9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyLUZDDFGUGWUAKZ-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.97
Rot. Bonds5

About 5-[[[3-(dimethylamino)benzoyl]amino]methyl]furan-2-carboxylic acid

5-[[[3-(dimethylamino)benzoyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 79993469) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-[[[3-(dimethylamino)benzoyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[3-(dimethylamino)benzoyl]amino]methyl]furan-2-carboxylic acid
PubChem CID79993469
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name5-[[[3-(dimethylamino)benzoyl]amino]methyl]furan-2-carboxylic acid
SMILESCN(C)c1cccc(C(=O)NCc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C15H16N2O4/c1-17(2)11-5-3-4-10(8-11)14(18)16-9-12-6-7-13(21-12)15(19)20/h3-8H,9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyLUZDDFGUGWUAKZ-UHFFFAOYSA-N
XLogP1.97
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231911
5-[[(3,4-dihydroxybenzoyl)amino]methyl]furan-2-carboxylic acid
CID 107728163
5-[[[3-(propan-2-ylsulfamoyl)benzoyl]amino]methyl]furan-2-carboxylic acid
CID 119245913
5-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)methyl]furan-2-carboxylic acid
CID 119245819
5-[[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid
CID 129466586
5-[[[3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid
CID 129466587
N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide
CID 7922599
3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide
CID 32636517
3-(dimethylamino)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzamide
CID 110742450
3-(dimethylamino)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]benzamide
CID 110666314
3-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 25335787
5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 75356368

Frequently Asked Questions

What is the IUPAC name of 5-[[[3-(dimethylamino)benzoyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[3-(dimethylamino)benzoyl]amino]methyl]furan-2-carboxylic acid (CID 79993469) is 5-[[[3-(dimethylamino)benzoyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[3-(dimethylamino)benzoyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[3-(dimethylamino)benzoyl]amino]methyl]furan-2-carboxylic acid is CN(C)c1cccc(C(=O)NCc2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-[[[3-(dimethylamino)benzoyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is LUZDDFGUGWUAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-17(2)11-5-3-4-10(8-11)14(18)16-9-12-6-7-13(21-12)15(19)20/h3-8H,9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 5-[[[3-(dimethylamino)benzoyl]amino]methyl]furan-2-carboxylic acid?
5-[[[3-(dimethylamino)benzoyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-(dimethylamino)benzoyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 79993469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).