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

C19H22N2O5 — CID 109052609

IUPAC3-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
SMILESCOCCNC(=O)c1cccc(C(=O)Nc2ccc(OC)cc2OC)c1
InChIInChI=1S/C19H22N2O5/c1-24-10-9-20-18(22)13-5-4-6-14(11-13)19(23)21-16-8-7-15(25-2)12-17(16)26-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyHLNSAXCIHNHAKU-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.33
Rot. Bonds8

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

3-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide (PubChem CID 109052609) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 3-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
PubChem CID109052609
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name3-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
SMILESCOCCNC(=O)c1cccc(C(=O)Nc2ccc(OC)cc2OC)c1
InChIInChI=1S/C19H22N2O5/c1-24-10-9-20-18(22)13-5-4-6-14(11-13)19(23)21-16-8-7-15(25-2)12-17(16)26-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyHLNSAXCIHNHAKU-UHFFFAOYSA-N
XLogP2.33
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063596
N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)benzamide
CID 7603182
N-(2,4-dimethoxyphenyl)-3-hydroxybenzamide
CID 19256865
N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 710450
3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055230
3-N-tert-butyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109056037
5-N-(2,4-dimethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101267
3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109052232
4-N-(2,4-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045814
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520
3-N-(2-bromophenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052632
3-[(2,5-dimethoxyphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063687

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide (CID 109052609) is 3-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide is COCCNC(=O)c1cccc(C(=O)Nc2ccc(OC)cc2OC)c1.
What is the InChIKey of 3-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide?
The InChIKey is HLNSAXCIHNHAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-24-10-9-20-18(22)13-5-4-6-14(11-13)19(23)21-16-8-7-15(25-2)12-17(16)26-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 3-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide?
3-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide has a molecular weight of 358.39 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109052609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).