3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide

C23H22N2O3 — CID 109056979

IUPAC3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C23H22N2O3/c1-3-28-21-13-11-20(12-14-21)25-23(27)18-6-4-5-17(15-18)22(26)24-19-9-7-16(2)8-10-19/h4-15H,3H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyIJLGDBAPQJTGLC-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.90
Rot. Bonds6

About 3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide

3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109056979) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
PubChem CID109056979
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C23H22N2O3/c1-3-28-21-13-11-20(12-14-21)25-23(27)18-6-4-5-17(15-18)22(26)24-19-9-7-16(2)8-10-19/h4-15H,3H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyIJLGDBAPQJTGLC-UHFFFAOYSA-N
XLogP4.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057223
1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050601
1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057669
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
3-acetamido-N-(4-ethoxyphenyl)benzamide
CID 17396899
1-N-(4-ethoxyphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109057672
3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide
CID 7925302
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
CID 7929215
3-[(4-ethoxybenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 1228510
3-N-(4-ethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052772
O-[3-[(4-ethoxyphenyl)carbamoyl]phenyl] N-(4-ethoxyphenyl)carbamothioate
CID 1243978
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide (CID 109056979) is 3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide is CCOc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C)cc3)c2)cc1.
What is the InChIKey of 3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is IJLGDBAPQJTGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-3-28-21-13-11-20(12-14-21)25-23(27)18-6-4-5-17(15-18)22(26)24-19-9-7-16(2)8-10-19/h4-15H,3H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide?
3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109056979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).