3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide

C21H20N2O3 — CID 109053943

IUPAC3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCc1cccc(CNC(=O)c2cccc(C(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C21H20N2O3/c1-15-5-2-6-16(11-15)13-22-20(24)17-7-3-8-18(12-17)21(25)23-14-19-9-4-10-26-19/h2-12H,13-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyLGMGIKHNQGZZMD-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.45
Rot. Bonds6

About 3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide

3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide (PubChem CID 109053943) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
PubChem CID109053943
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCc1cccc(CNC(=O)c2cccc(C(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C21H20N2O3/c1-15-5-2-6-16(11-15)13-22-20(24)17-7-3-8-18(12-17)21(25)23-14-19-9-4-10-26-19/h2-12H,13-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyLGMGIKHNQGZZMD-UHFFFAOYSA-N
XLogP3.45
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
2-(furan-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110690605
N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 122147373
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide
CID 55877532
N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 9079684
3-N-ethyl-1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054073
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
3-[[[N-[(2,4-dimethylphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide
CID 111938296
3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 167751843
N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810881

Frequently Asked Questions

What is the IUPAC name of 3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide (CID 109053943) is 3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide is Cc1cccc(CNC(=O)c2cccc(C(=O)NCc3ccco3)c2)c1.
What is the InChIKey of 3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is LGMGIKHNQGZZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-15-5-2-6-16(11-15)13-22-20(24)17-7-3-8-18(12-17)21(25)23-14-19-9-4-10-26-19/h2-12H,13-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide?
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109053943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).