3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide

C20H24N2O2 — CID 109054218

IUPAC3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1cccc(C(=O)NCc2ccccc2C)c1
InChIInChI=1S/C20H24N2O2/c1-4-22(5-2)20(24)17-12-8-11-16(13-17)19(23)21-14-18-10-7-6-9-15(18)3/h6-13H,4-5,14H2,1-3H3,(H,21,23)
InChIKeyGXNIMIKJGIFJEZ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.41
Rot. Bonds6

About 3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide

3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide (PubChem CID 109054218) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
PubChem CID109054218
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1cccc(C(=O)NCc2ccccc2C)c1
InChIInChI=1S/C20H24N2O2/c1-4-22(5-2)20(24)17-12-8-11-16(13-17)19(23)21-14-18-10-7-6-9-15(18)3/h6-13H,4-5,14H2,1-3H3,(H,21,23)
InChIKeyGXNIMIKJGIFJEZ-UHFFFAOYSA-N
XLogP3.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
3-N-ethyl-1-N-[(2-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
CID 109054244
1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051262
1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052499
3-N,3-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055375
3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 54940691
3-N-(3,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054238
3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054270
3-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054257
4-hydroxy-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103951655
4-N-benzyl-4-N-ethyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085601
N,N-diethyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide
CID 26164133

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide (CID 109054218) is 3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide is CCN(CC)C(=O)c1cccc(C(=O)NCc2ccccc2C)c1.
What is the InChIKey of 3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is GXNIMIKJGIFJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-22(5-2)20(24)17-12-8-11-16(13-17)19(23)21-14-18-10-7-6-9-15(18)3/h6-13H,4-5,14H2,1-3H3,(H,21,23).
What are the key properties of 3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide?
3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).