3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide

C19H22N2O3 — CID 109052570

IUPAC3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
SMILESCOCCNC(=O)c1cccc(C(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H22N2O3/c1-13-7-8-17(11-14(13)2)21-19(23)16-6-4-5-15(12-16)18(22)20-9-10-24-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyXWTLUNQLYIHSCR-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.93
Rot. Bonds6

About 3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide

3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide (PubChem CID 109052570) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
PubChem CID109052570
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
SMILESCOCCNC(=O)c1cccc(C(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H22N2O3/c1-13-7-8-17(11-14(13)2)21-19(23)16-6-4-5-15(12-16)18(22)20-9-10-24-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyXWTLUNQLYIHSCR-UHFFFAOYSA-N
XLogP2.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.93
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

methyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
CID 109052619
3-N-(4-acetylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052615
ethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
CID 109052641
3-N-(3,4-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054817
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052638
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210
3-N-(3,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054238
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836331
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218947
3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050442
3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109055998

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide (CID 109052570) is 3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide is COCCNC(=O)c1cccc(C(=O)Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of 3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide?
The InChIKey is XWTLUNQLYIHSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-7-8-17(11-14(13)2)21-19(23)16-6-4-5-15(12-16)18(22)20-9-10-24-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide?
3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109052570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).