3-N-benzyl-1-N-(2-cyanophenyl)-3-N-ethylbenzene-1,3-dicarboxamide

C24H21N3O2 — CID 109054951

IUPAC3-N-benzyl-1-N-(2-cyanophenyl)-3-N-ethylbenzene-1,3-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cccc(C(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C24H21N3O2/c1-2-27(17-18-9-4-3-5-10-18)24(29)20-13-8-12-19(15-20)23(28)26-22-14-7-6-11-21(22)16-25/h3-15H,2,17H2,1H3,(H,26,28)
InChIKeyHPRJRQRMMSDKHJ-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.47
Rot. Bonds6

About 3-N-benzyl-1-N-(2-cyanophenyl)-3-N-ethylbenzene-1,3-dicarboxamide

3-N-benzyl-1-N-(2-cyanophenyl)-3-N-ethylbenzene-1,3-dicarboxamide (PubChem CID 109054951) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-N-benzyl-1-N-(2-cyanophenyl)-3-N-ethylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-1-N-(2-cyanophenyl)-3-N-ethylbenzene-1,3-dicarboxamide
PubChem CID109054951
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name3-N-benzyl-1-N-(2-cyanophenyl)-3-N-ethylbenzene-1,3-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cccc(C(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C24H21N3O2/c1-2-27(17-18-9-4-3-5-10-18)24(29)20-13-8-12-19(15-20)23(28)26-22-14-7-6-11-21(22)16-25/h3-15H,2,17H2,1H3,(H,26,28)
InChIKeyHPRJRQRMMSDKHJ-UHFFFAOYSA-N
XLogP4.47
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050312
3-[benzyl(ethyl)carbamoyl]benzoic acid
CID 43452784
N-benzyl-3-(cyanomethyl)-N-ethylbenzamide
CID 78884014
3-N-(2-cyanophenyl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056342
3-N-benzyl-3-N-ethyl-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054430
3-N-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057400
3-N-benzyl-1-N-(2-ethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054542
N-benzyl-N-ethyl-3-(propanoylamino)benzamide
CID 17309573
1-N-[(4-chlorophenyl)methyl]-3-N-(2-cyanophenyl)benzene-1,3-dicarboxamide
CID 109054791
3-N-(2-cyanophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055249
3-[[[3-[[[3-[[[3-[[[3-[[[3-[[benzoyl(ethyl)amino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoic acid
CID 56590718
3-benzamido-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylbenzamide
CID 46410054

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-1-N-(2-cyanophenyl)-3-N-ethylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-1-N-(2-cyanophenyl)-3-N-ethylbenzene-1,3-dicarboxamide (CID 109054951) is 3-N-benzyl-1-N-(2-cyanophenyl)-3-N-ethylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-1-N-(2-cyanophenyl)-3-N-ethylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-1-N-(2-cyanophenyl)-3-N-ethylbenzene-1,3-dicarboxamide is CCN(Cc1ccccc1)C(=O)c1cccc(C(=O)Nc2ccccc2C#N)c1.
What is the InChIKey of 3-N-benzyl-1-N-(2-cyanophenyl)-3-N-ethylbenzene-1,3-dicarboxamide?
The InChIKey is HPRJRQRMMSDKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-2-27(17-18-9-4-3-5-10-18)24(29)20-13-8-12-19(15-20)23(28)26-22-14-7-6-11-21(22)16-25/h3-15H,2,17H2,1H3,(H,26,28).
What are the key properties of 3-N-benzyl-1-N-(2-cyanophenyl)-3-N-ethylbenzene-1,3-dicarboxamide?
3-N-benzyl-1-N-(2-cyanophenyl)-3-N-ethylbenzene-1,3-dicarboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.47, 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-(2-cyanophenyl)-3-N-ethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109054951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).