4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide

C23H22N2O4 — CID 109049315

IUPAC4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(C(=O)Nc3ccccc3C)cc2)c1
InChIInChI=1S/C23H22N2O4/c1-15-6-4-5-7-19(15)24-22(26)16-8-10-17(11-9-16)23(27)25-20-14-18(28-2)12-13-21(20)29-3/h4-14H,1-3H3,(H,24,26)(H,25,27)
InChIKeyPEWYNBLJJJWWFJ-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.52
Rot. Bonds6

About 4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide

4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109049315) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
PubChem CID109049315
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(C(=O)Nc3ccccc3C)cc2)c1
InChIInChI=1S/C23H22N2O4/c1-15-6-4-5-7-19(15)24-22(26)16-8-10-17(11-9-16)23(27)25-20-14-18(28-2)12-13-21(20)29-3/h4-14H,1-3H3,(H,24,26)(H,25,27)
InChIKeyPEWYNBLJJJWWFJ-UHFFFAOYSA-N
XLogP4.52
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide (CID 109049315) is 4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide is COc1ccc(OC)c(NC(=O)c2ccc(C(=O)Nc3ccccc3C)cc2)c1.
What is the InChIKey of 4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is PEWYNBLJJJWWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15-6-4-5-7-19(15)24-22(26)16-8-10-17(11-9-16)23(27)25-20-14-18(28-2)12-13-21(20)29-3/h4-14H,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide?
4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 390.44 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).