3-N-(3-cyanophenyl)-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide

C24H21N3O3 — CID 109055476

IUPAC3-N-(3-cyanophenyl)-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
SMILESCOc1ccccc1CCNC(=O)c1cccc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C24H21N3O3/c1-30-22-11-3-2-7-18(22)12-13-26-23(28)19-8-5-9-20(15-19)24(29)27-21-10-4-6-17(14-21)16-25/h2-11,14-15H,12-13H2,1H3,(H,26,28)(H,27,29)
InChIKeyCOMOWFQAFVCUPX-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.79
Rot. Bonds7

About 3-N-(3-cyanophenyl)-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide

3-N-(3-cyanophenyl)-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide (PubChem CID 109055476) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-N-(3-cyanophenyl)-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-cyanophenyl)-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
PubChem CID109055476
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name3-N-(3-cyanophenyl)-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
SMILESCOc1ccccc1CCNC(=O)c1cccc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C24H21N3O3/c1-30-22-11-3-2-7-18(22)12-13-26-23(28)19-8-5-9-20(15-19)24(29)27-21-10-4-6-17(14-21)16-25/h2-11,14-15H,12-13H2,1H3,(H,26,28)(H,27,29)
InChIKeyCOMOWFQAFVCUPX-UHFFFAOYSA-N
XLogP3.79
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633
4-benzamido-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 55534844
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109054096
N-[2-(2-methoxyphenyl)ethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959283
1-(3-cyanophenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217348
3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide
CID 110605229
3-cyano-N-(3-methoxyphenyl)benzamide
CID 2709744
1-N-[2-(2-methoxyphenyl)ethyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109055465
3-N-(3,4-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054817
3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115342
N-(3-cyanophenyl)-2-hydroxy-3-methoxybenzamide
CID 24706951

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-cyanophenyl)-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-cyanophenyl)-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide (CID 109055476) is 3-N-(3-cyanophenyl)-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-cyanophenyl)-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-cyanophenyl)-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide is COc1ccccc1CCNC(=O)c1cccc(C(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of 3-N-(3-cyanophenyl)-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is COMOWFQAFVCUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-30-22-11-3-2-7-18(22)12-13-26-23(28)19-8-5-9-20(15-19)24(29)27-21-10-4-6-17(14-21)16-25/h2-11,14-15H,12-13H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 3-N-(3-cyanophenyl)-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide?
3-N-(3-cyanophenyl)-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-cyanophenyl)-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).