3-N-(2-ethylphenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide

C20H24N2O2 — CID 109051337

IUPAC3-N-(2-ethylphenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
SMILESCCc1ccccc1NC(=O)c1cccc(C(=O)NCC(C)C)c1
InChIInChI=1S/C20H24N2O2/c1-4-15-8-5-6-11-18(15)22-20(24)17-10-7-9-16(12-17)19(23)21-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyGXCQNERUBOLSSS-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.89
Rot. Bonds6

About 3-N-(2-ethylphenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide

3-N-(2-ethylphenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide (PubChem CID 109051337) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-N-(2-ethylphenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-ethylphenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
PubChem CID109051337
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-N-(2-ethylphenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
SMILESCCc1ccccc1NC(=O)c1cccc(C(=O)NCC(C)C)c1
InChIInChI=1S/C20H24N2O2/c1-4-15-8-5-6-11-18(15)22-20(24)17-10-7-9-16(12-17)19(23)21-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyGXCQNERUBOLSSS-UHFFFAOYSA-N
XLogP3.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054619
1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051262
1-N-(4-acetylphenyl)-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide
CID 109057295
3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051379
3-N-benzyl-1-N-(2-ethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054542
methyl 3-(2-methylpropylcarbamoyl)benzoate
CID 108786629
5-N-(2-methylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102183
N-(2-ethylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 8839459
N-(2-ethylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225020
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
N-(2-ethylphenyl)-3-formamidobenzamide
CID 168654559
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-ethylphenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-ethylphenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide (CID 109051337) is 3-N-(2-ethylphenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-ethylphenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-ethylphenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide is CCc1ccccc1NC(=O)c1cccc(C(=O)NCC(C)C)c1.
What is the InChIKey of 3-N-(2-ethylphenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide?
The InChIKey is GXCQNERUBOLSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-15-8-5-6-11-18(15)22-20(24)17-10-7-9-16(12-17)19(23)21-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 3-N-(2-ethylphenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide?
3-N-(2-ethylphenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-ethylphenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109051337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).