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

C20H24N2O2 — CID 109051262

IUPAC1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1cccc(C(=O)NCC(C)C)c1
InChIInChI=1S/C20H24N2O2/c1-14(2)12-21-19(23)16-9-6-10-17(11-16)20(24)22-13-18-8-5-4-7-15(18)3/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyBJJSUQZAPYGDNN-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.31
Rot. Bonds6

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

1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide (PubChem CID 109051262) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
PubChem CID109051262
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1cccc(C(=O)NCC(C)C)c1
InChIInChI=1S/C20H24N2O2/c1-14(2)12-21-19(23)16-9-6-10-17(11-16)20(24)22-13-18-8-5-4-7-15(18)3/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyBJJSUQZAPYGDNN-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052499
3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054218
3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 54940691
N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide
CID 108941562
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
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
3-N-(2-ethylphenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051337
4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide
CID 144948628
4-hydroxy-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103951655

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide (CID 109051262) is 1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide is Cc1ccccc1CNC(=O)c1cccc(C(=O)NCC(C)C)c1.
What is the InChIKey of 1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide?
The InChIKey is BJJSUQZAPYGDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14(2)12-21-19(23)16-9-6-10-17(11-16)20(24)22-13-18-8-5-4-7-15(18)3/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide?
1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109051262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).