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

C9H18N2O4 — CID 13366332

IUPACN'-(2,2-diethoxyethyl)-N-methyloxamide
SMILESCCOC(CNC(=O)C(=O)NC)OCC
InChIInChI=1S/C9H18N2O4/c1-4-14-7(15-5-2)6-11-9(13)8(12)10-3/h7H,4-6H2,1-3H3,(H,10,12)(H,11,13)
InChIKeyGOMCRIIGFXYXCF-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.75
Rot. Bonds6

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

N'-(2,2-diethoxyethyl)-N-methyloxamide (PubChem CID 13366332) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is N'-(2,2-diethoxyethyl)-N-methyloxamide.

Molecular Properties

Compound NameN'-(2,2-diethoxyethyl)-N-methyloxamide
PubChem CID13366332
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC NameN'-(2,2-diethoxyethyl)-N-methyloxamide
SMILESCCOC(CNC(=O)C(=O)NC)OCC
InChIInChI=1S/C9H18N2O4/c1-4-14-7(15-5-2)6-11-9(13)8(12)10-3/h7H,4-6H2,1-3H3,(H,10,12)(H,11,13)
InChIKeyGOMCRIIGFXYXCF-UHFFFAOYSA-N
XLogP-0.75
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
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-methyloxamide?
The IUPAC name of N'-(2,2-diethoxyethyl)-N-methyloxamide (CID 13366332) is N'-(2,2-diethoxyethyl)-N-methyloxamide.
What is the SMILES notation for N'-(2,2-diethoxyethyl)-N-methyloxamide?
The canonical SMILES for N'-(2,2-diethoxyethyl)-N-methyloxamide is CCOC(CNC(=O)C(=O)NC)OCC.
What is the InChIKey of N'-(2,2-diethoxyethyl)-N-methyloxamide?
The InChIKey is GOMCRIIGFXYXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-4-14-7(15-5-2)6-11-9(13)8(12)10-3/h7H,4-6H2,1-3H3,(H,10,12)(H,11,13).
What are the key properties of N'-(2,2-diethoxyethyl)-N-methyloxamide?
N'-(2,2-diethoxyethyl)-N-methyloxamide has a molecular weight of 218.25 g/mol, XLogP of -0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-diethoxyethyl)-N-methyloxamide is sourced from PubChem (CID 13366332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).