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

C19H22N2O3 — CID 109052499

IUPAC1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCOCCNC(=O)c1cccc(C(=O)NCc2ccccc2C)c1
InChIInChI=1S/C19H22N2O3/c1-14-6-3-4-7-17(14)13-21-19(23)16-9-5-8-15(12-16)18(22)20-10-11-24-2/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGEHLUPROLOGUCD-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.30
Rot. Bonds7

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

1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide (PubChem CID 109052499) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
PubChem CID109052499
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCOCCNC(=O)c1cccc(C(=O)NCc2ccccc2C)c1
InChIInChI=1S/C19H22N2O3/c1-14-6-3-4-7-17(14)13-21-19(23)16-9-5-8-15(12-16)18(22)20-10-11-24-2/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGEHLUPROLOGUCD-UHFFFAOYSA-N
XLogP2.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 54940691
1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051262
3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063719
3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052680
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-N-diethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054218
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
3-N-(3-methoxyphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054252
2-N-(3-methoxypropyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109082650
N-(2-methoxyethyl)-4-[[2-(2-methylphenyl)acetyl]amino]benzamide
CID 26163515

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide (CID 109052499) is 1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide is COCCNC(=O)c1cccc(C(=O)NCc2ccccc2C)c1.
What is the InChIKey of 1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is GEHLUPROLOGUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-6-3-4-7-17(14)13-21-19(23)16-9-5-8-15(12-16)18(22)20-10-11-24-2/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide?
1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109052499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).