1-N-(4-methoxyphenyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide

C24H24N2O3 — CID 109049815

IUPAC1-N-(4-methoxyphenyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3C(C)C)cc2)cc1
InChIInChI=1S/C24H24N2O3/c1-16(2)21-6-4-5-7-22(21)26-24(28)18-10-8-17(9-11-18)23(27)25-19-12-14-20(29-3)15-13-19/h4-16H,1-3H3,(H,25,27)(H,26,28)
InChIKeyUXPZEXCENGQUFL-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.32
Rot. Bonds6

About 1-N-(4-methoxyphenyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide

1-N-(4-methoxyphenyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109049815) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-N-(4-methoxyphenyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-methoxyphenyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
PubChem CID109049815
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name1-N-(4-methoxyphenyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3C(C)C)cc2)cc1
InChIInChI=1S/C24H24N2O3/c1-16(2)21-6-4-5-7-22(21)26-24(28)18-10-8-17(9-11-18)23(27)25-19-12-14-20(29-3)15-13-19/h4-16H,1-3H3,(H,25,27)(H,26,28)
InChIKeyUXPZEXCENGQUFL-UHFFFAOYSA-N
XLogP5.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(4-methoxyphenyl)-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109108597
4-(methylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 62185459
4-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide
CID 46755792
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043167
N-(2-propan-2-ylphenyl)benzamide
CID 723391
N-(2-ethoxyphenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2222263
2-[[4-(1-hydroxyethyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 10620419
4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide
CID 113046923
N-(4-methoxyphenyl)-4-[(2R)-1-(2-methylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7709088
2-[(4-fluorobenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 2227245
N-(2-propan-2-ylphenyl)-4-propoxybenzamide
CID 6463952
N-(4-fluorophenyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 1307045

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxyphenyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-methoxyphenyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide (CID 109049815) is 1-N-(4-methoxyphenyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-methoxyphenyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-methoxyphenyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide is COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3C(C)C)cc2)cc1.
What is the InChIKey of 1-N-(4-methoxyphenyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is UXPZEXCENGQUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-16(2)21-6-4-5-7-22(21)26-24(28)18-10-8-17(9-11-18)23(27)25-19-12-14-20(29-3)15-13-19/h4-16H,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 1-N-(4-methoxyphenyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
1-N-(4-methoxyphenyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 388.47 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methoxyphenyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).