N'-(2,2-diethoxyethyl)-N'-(2,3-dimethylphenyl)-N-methyloxamide

C17H26N2O4 — CID 131721071

IUPACN'-(2,2-diethoxyethyl)-N'-(2,3-dimethylphenyl)-N-methyloxamide
SMILESCCOC(CN(C(=O)C(=O)NC)c1cccc(C)c1C)OCC
InChIInChI=1S/C17H26N2O4/c1-6-22-15(23-7-2)11-19(17(21)16(20)18-5)14-10-8-9-12(3)13(14)4/h8-10,15H,6-7,11H2,1-5H3,(H,18,20)
InChIKeyGRFKMMHGDAHUHL-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.78
Rot. Bonds7

About N'-(2,2-diethoxyethyl)-N'-(2,3-dimethylphenyl)-N-methyloxamide

N'-(2,2-diethoxyethyl)-N'-(2,3-dimethylphenyl)-N-methyloxamide (PubChem CID 131721071) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N'-(2,2-diethoxyethyl)-N'-(2,3-dimethylphenyl)-N-methyloxamide.

Molecular Properties

Compound NameN'-(2,2-diethoxyethyl)-N'-(2,3-dimethylphenyl)-N-methyloxamide
PubChem CID131721071
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN'-(2,2-diethoxyethyl)-N'-(2,3-dimethylphenyl)-N-methyloxamide
SMILESCCOC(CN(C(=O)C(=O)NC)c1cccc(C)c1C)OCC
InChIInChI=1S/C17H26N2O4/c1-6-22-15(23-7-2)11-19(17(21)16(20)18-5)14-10-8-9-12(3)13(14)4/h8-10,15H,6-7,11H2,1-5H3,(H,18,20)
InChIKeyGRFKMMHGDAHUHL-UHFFFAOYSA-N
XLogP1.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2-diethoxyethyl)-N'-(2,3-dimethylphenyl)-N-methyloxamide?
The IUPAC name of N'-(2,2-diethoxyethyl)-N'-(2,3-dimethylphenyl)-N-methyloxamide (CID 131721071) is N'-(2,2-diethoxyethyl)-N'-(2,3-dimethylphenyl)-N-methyloxamide.
What is the SMILES notation for N'-(2,2-diethoxyethyl)-N'-(2,3-dimethylphenyl)-N-methyloxamide?
The canonical SMILES for N'-(2,2-diethoxyethyl)-N'-(2,3-dimethylphenyl)-N-methyloxamide is CCOC(CN(C(=O)C(=O)NC)c1cccc(C)c1C)OCC.
What is the InChIKey of N'-(2,2-diethoxyethyl)-N'-(2,3-dimethylphenyl)-N-methyloxamide?
The InChIKey is GRFKMMHGDAHUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-6-22-15(23-7-2)11-19(17(21)16(20)18-5)14-10-8-9-12(3)13(14)4/h8-10,15H,6-7,11H2,1-5H3,(H,18,20).
What are the key properties of N'-(2,2-diethoxyethyl)-N'-(2,3-dimethylphenyl)-N-methyloxamide?
N'-(2,2-diethoxyethyl)-N'-(2,3-dimethylphenyl)-N-methyloxamide has a molecular weight of 322.41 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-diethoxyethyl)-N'-(2,3-dimethylphenyl)-N-methyloxamide is sourced from PubChem (CID 131721071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).