1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide

C24H24N2O3 — CID 109049370

IUPAC1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)c2ccc(C(=O)Nc3ccccc3OC(C)C)cc2)c1
InChIInChI=1S/C24H24N2O3/c1-16(2)29-22-10-5-4-9-21(22)26-24(28)19-13-11-18(12-14-19)23(27)25-20-8-6-7-17(3)15-20/h4-16H,1-3H3,(H,25,27)(H,26,28)
InChIKeyCRDJEEXJWPPJNV-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.29
Rot. Bonds6

About 1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide

1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide (PubChem CID 109049370) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
PubChem CID109049370
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)c2ccc(C(=O)Nc3ccccc3OC(C)C)cc2)c1
InChIInChI=1S/C24H24N2O3/c1-16(2)29-22-10-5-4-9-21(22)26-24(28)19-13-11-18(12-14-19)23(27)25-20-8-6-7-17(3)15-20/h4-16H,1-3H3,(H,25,27)(H,26,28)
InChIKeyCRDJEEXJWPPJNV-UHFFFAOYSA-N
XLogP5.29
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 ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150877
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049242
5-(3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109241956
3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150992
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293
1-N-(2-methylpropyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109043960
3-amino-N-(2-propan-2-yloxyphenyl)benzamide
CID 28722379
3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150898
3,5-dichloro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151016
6-[(3-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109155845
2-(3-methylphenyl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113098613
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide (CID 109049370) is 1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide is Cc1cccc(NC(=O)c2ccc(C(=O)Nc3ccccc3OC(C)C)cc2)c1.
What is the InChIKey of 1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide?
The InChIKey is CRDJEEXJWPPJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-16(2)29-22-10-5-4-9-21(22)26-24(28)19-13-11-18(12-14-19)23(27)25-20-8-6-7-17(3)15-20/h4-16H,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide?
1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide has a molecular weight of 388.47 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).