2-(2-methoxyethyl)benzene-1,4-dicarboxamide

C11H14N2O3 — CID 67361563

IUPAC2-(2-methoxyethyl)benzene-1,4-dicarboxamide
SMILESCOCCc1cc(C(N)=O)ccc1C(N)=O
InChIInChI=1S/C11H14N2O3/c1-16-5-4-7-6-8(10(12)14)2-3-9(7)11(13)15/h2-3,6H,4-5H2,1H3,(H2,12,14)(H2,13,15)
InChIKeyRRAADTWXWGNACJ-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.07
Rot. Bonds5

About 2-(2-methoxyethyl)benzene-1,4-dicarboxamide

2-(2-methoxyethyl)benzene-1,4-dicarboxamide (PubChem CID 67361563) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(2-methoxyethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)benzene-1,4-dicarboxamide
PubChem CID67361563
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(2-methoxyethyl)benzene-1,4-dicarboxamide
SMILESCOCCc1cc(C(N)=O)ccc1C(N)=O
InChIInChI=1S/C11H14N2O3/c1-16-5-4-7-6-8(10(12)14)2-3-9(7)11(13)15/h2-3,6H,4-5H2,1H3,(H2,12,14)(H2,13,15)
InChIKeyRRAADTWXWGNACJ-UHFFFAOYSA-N
XLogP0.07
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 2-(2-methoxyethyl)benzene-1,4-dicarboxamide (CID 67361563) is 2-(2-methoxyethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 2-(2-methoxyethyl)benzene-1,4-dicarboxamide is COCCc1cc(C(N)=O)ccc1C(N)=O.
What is the InChIKey of 2-(2-methoxyethyl)benzene-1,4-dicarboxamide?
The InChIKey is RRAADTWXWGNACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-16-5-4-7-6-8(10(12)14)2-3-9(7)11(13)15/h2-3,6H,4-5H2,1H3,(H2,12,14)(H2,13,15).
What are the key properties of 2-(2-methoxyethyl)benzene-1,4-dicarboxamide?
2-(2-methoxyethyl)benzene-1,4-dicarboxamide has a molecular weight of 222.24 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 67361563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).