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

C24H21N3O3 — CID 109057684

IUPAC1-N-(4-cyanophenyl)-3-N-(2-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C24H21N3O3/c1-16(2)30-22-9-4-3-8-21(22)27-24(29)19-7-5-6-18(14-19)23(28)26-20-12-10-17(15-25)11-13-20/h3-14,16H,1-2H3,(H,26,28)(H,27,29)
InChIKeyUXHJJPSQJAMDKJ-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.85
Rot. Bonds6

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

1-N-(4-cyanophenyl)-3-N-(2-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide (PubChem CID 109057684) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1-N-(4-cyanophenyl)-3-N-(2-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-cyanophenyl)-3-N-(2-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
PubChem CID109057684
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name1-N-(4-cyanophenyl)-3-N-(2-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C24H21N3O3/c1-16(2)30-22-9-4-3-8-21(22)27-24(29)19-7-5-6-18(14-19)23(28)26-20-12-10-17(15-25)11-13-20/h3-14,16H,1-2H3,(H,26,28)(H,27,29)
InChIKeyUXHJJPSQJAMDKJ-UHFFFAOYSA-N
XLogP4.85
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(2-propan-2-yloxyphenyl)benzamide
CID 38999846
N-(4-cyanophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955872
3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150877
3-amino-N-(2-propan-2-yloxyphenyl)benzamide
CID 28722379
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049242
6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 112850714
N-(4-cyanophenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112850706
N-(4-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109359157
N-(2-cyanophenyl)-3-propan-2-yloxybenzamide
CID 924558
[1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-(phenylcarbamoyl)benzoate
CID 167807163
3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057551
1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057669

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-cyanophenyl)-3-N-(2-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(4-cyanophenyl)-3-N-(2-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide (CID 109057684) is 1-N-(4-cyanophenyl)-3-N-(2-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(4-cyanophenyl)-3-N-(2-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(4-cyanophenyl)-3-N-(2-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide is CC(C)Oc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1.
What is the InChIKey of 1-N-(4-cyanophenyl)-3-N-(2-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide?
The InChIKey is UXHJJPSQJAMDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16(2)30-22-9-4-3-8-21(22)27-24(29)19-7-5-6-18(14-19)23(28)26-20-12-10-17(15-25)11-13-20/h3-14,16H,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 1-N-(4-cyanophenyl)-3-N-(2-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide?
1-N-(4-cyanophenyl)-3-N-(2-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-cyanophenyl)-3-N-(2-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109057684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).