3-N-benzyl-1-N-(4-cyanophenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide

C25H23N3O2 — CID 109056164

IUPAC3-N-benzyl-1-N-(4-cyanophenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C25H23N3O2/c1-18(2)28(17-20-7-4-3-5-8-20)25(30)22-10-6-9-21(15-22)24(29)27-23-13-11-19(16-26)12-14-23/h3-15,18H,17H2,1-2H3,(H,27,29)
InChIKeyQRAYTPFZOHXOOB-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.86
Rot. Bonds6

About 3-N-benzyl-1-N-(4-cyanophenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide

3-N-benzyl-1-N-(4-cyanophenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide (PubChem CID 109056164) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-N-benzyl-1-N-(4-cyanophenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-1-N-(4-cyanophenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
PubChem CID109056164
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name3-N-benzyl-1-N-(4-cyanophenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C25H23N3O2/c1-18(2)28(17-20-7-4-3-5-8-20)25(30)22-10-6-9-21(15-22)24(29)27-23-13-11-19(16-26)12-14-23/h3-15,18H,17H2,1-2H3,(H,27,29)
InChIKeyQRAYTPFZOHXOOB-UHFFFAOYSA-N
XLogP4.86
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-benzyl-1-N-(2-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109056154
1-N'-benzyl-1-N-(4-cyanophenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108979621
3-N-butyl-1-N-(4-cyanophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056438
3-[[(3-cyanophenyl)methyl-methylamino]methyl]-N-phenylbenzamide
CID 87021499
4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide
CID 55593914
[1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-(phenylcarbamoyl)benzoate
CID 167807163
1-N-(4-cyanophenyl)-3-N-(2-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057684
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
N-[(4-cyanophenyl)methyl]-5-(phenylcarbamoylamino)-N-propan-2-ylthiophene-2-carboxamide
CID 78853392
3-N-benzyl-1-N-(4-chlorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054551
3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054548

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-1-N-(4-cyanophenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-1-N-(4-cyanophenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide (CID 109056164) is 3-N-benzyl-1-N-(4-cyanophenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-1-N-(4-cyanophenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-1-N-(4-cyanophenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide is CC(C)N(Cc1ccccc1)C(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1.
What is the InChIKey of 3-N-benzyl-1-N-(4-cyanophenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The InChIKey is QRAYTPFZOHXOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-18(2)28(17-20-7-4-3-5-8-20)25(30)22-10-6-9-21(15-22)24(29)27-23-13-11-19(16-26)12-14-23/h3-15,18H,17H2,1-2H3,(H,27,29).
What are the key properties of 3-N-benzyl-1-N-(4-cyanophenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
3-N-benzyl-1-N-(4-cyanophenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-1-N-(4-cyanophenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109056164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).