4-N-(2,6-diethylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide

C23H24N2O3 — CID 109046593

IUPAC4-N-(2,6-diethylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C23H24N2O3/c1-3-16-7-5-8-17(4-2)21(16)25-23(27)19-12-10-18(11-13-19)22(26)24-15-20-9-6-14-28-20/h5-14H,3-4,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyBPKBVASTPWPSSP-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.59
Rot. Bonds7

About 4-N-(2,6-diethylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide

4-N-(2,6-diethylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide (PubChem CID 109046593) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-N-(2,6-diethylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,6-diethylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
PubChem CID109046593
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name4-N-(2,6-diethylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C23H24N2O3/c1-3-16-7-5-8-17(4-2)21(16)25-23(27)19-12-10-18(11-13-19)22(26)24-15-20-9-6-14-28-20/h5-14H,3-4,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyBPKBVASTPWPSSP-UHFFFAOYSA-N
XLogP4.59
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104899
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
4-N-(2-ethyl-6-methylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085207
4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046633
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 48845379
3-ethyl-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 110761912
4-N-(2-tert-butylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046595
4-ethyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 17395333
4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
CID 43156226
2,3-diethyl-N-(furan-2-ylmethyl)quinoxaline-6-carboxamide
CID 2302300

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-diethylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2,6-diethylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide (CID 109046593) is 4-N-(2,6-diethylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,6-diethylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2,6-diethylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide is CCc1cccc(CC)c1NC(=O)c1ccc(C(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-N-(2,6-diethylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide?
The InChIKey is BPKBVASTPWPSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-3-16-7-5-8-17(4-2)21(16)25-23(27)19-12-10-18(11-13-19)22(26)24-15-20-9-6-14-28-20/h5-14H,3-4,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-(2,6-diethylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide?
4-N-(2,6-diethylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-diethylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109046593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).