3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide

C15H22N2O4 — CID 109052487

IUPAC3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
SMILESCOCCCNC(=O)c1cccc(C(=O)NCCOC)c1
InChIInChI=1S/C15H22N2O4/c1-20-9-4-7-16-14(18)12-5-3-6-13(11-12)15(19)17-8-10-21-2/h3,5-6,11H,4,7-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyITHZLLPJUDKCTI-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.83
Rot. Bonds9

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

3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide (PubChem CID 109052487) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
PubChem CID109052487
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
SMILESCOCCCNC(=O)c1cccc(C(=O)NCCOC)c1
InChIInChI=1S/C15H22N2O4/c1-20-9-4-7-16-14(18)12-5-3-6-13(11-12)15(19)17-8-10-21-2/h3,5-6,11H,4,7-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyITHZLLPJUDKCTI-UHFFFAOYSA-N
XLogP0.83
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3-methoxypropyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide
CID 109052749
1-N-(3-methoxypropyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052676
3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052680
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
N-(3-methoxypropyl)-3-(piperidine-1-carbonyl)benzamide
CID 109051970
3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide
CID 54790791
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
3-bromo-N-[2-[[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 110975352
3-N-(4-ethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052772
1-N-(3-methoxypropyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109052820
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052499

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide (CID 109052487) is 3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide is COCCCNC(=O)c1cccc(C(=O)NCCOC)c1.
What is the InChIKey of 3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide?
The InChIKey is ITHZLLPJUDKCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-20-9-4-7-16-14(18)12-5-3-6-13(11-12)15(19)17-8-10-21-2/h3,5-6,11H,4,7-10H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide?
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide has a molecular weight of 294.35 g/mol, XLogP of 0.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109052487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).