4-N-(2-tert-butylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide

C23H24N2O3 — CID 109046595

IUPAC4-N-(2-tert-butylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C23H24N2O3/c1-23(2,3)19-8-4-5-9-20(19)25-22(27)17-12-10-16(11-13-17)21(26)24-15-18-7-6-14-28-18/h4-14H,15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyVBHFEHYBFAROFF-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.76
Rot. Bonds5

About 4-N-(2-tert-butylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide

4-N-(2-tert-butylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide (PubChem CID 109046595) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-N-(2-tert-butylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-tert-butylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
PubChem CID109046595
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name4-N-(2-tert-butylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C23H24N2O3/c1-23(2,3)19-8-4-5-9-20(19)25-22(27)17-12-10-16(11-13-17)21(26)24-15-18-7-6-14-28-18/h4-14H,15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyVBHFEHYBFAROFF-UHFFFAOYSA-N
XLogP4.76
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 48845379
methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178254
N-(furan-2-ylmethyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 989147
1-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109046640
N-(2-tert-butylphenyl)-4-iodobenzamide
CID 60628050
1-N-(furan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109046656
4-N-(2,6-diethylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046593
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
4-N-(2-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043561
4-N-(2,5-dimethoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046619
4-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54842948

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-tert-butylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-tert-butylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide (CID 109046595) is 4-N-(2-tert-butylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-tert-butylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-tert-butylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide is CC(C)(C)c1ccccc1NC(=O)c1ccc(C(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-N-(2-tert-butylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide?
The InChIKey is VBHFEHYBFAROFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-23(2,3)19-8-4-5-9-20(19)25-22(27)17-12-10-16(11-13-17)21(26)24-15-18-7-6-14-28-18/h4-14H,15H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-(2-tert-butylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide?
4-N-(2-tert-butylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-tert-butylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109046595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).