N'-(2,2-dimethoxyethyl)oxamide

C6H12N2O4 — CID 2774688

IUPACN'-(2,2-dimethoxyethyl)oxamide
SMILESCOC(CNC(=O)C(N)=O)OC
InChIInChI=1S/C6H12N2O4/c1-11-4(12-2)3-8-6(10)5(7)9/h4H,3H2,1-2H3,(H2,7,9)(H,8,10)
InChIKeySEDMUCLYVKEAGO-UHFFFAOYSA-N
MW176.17 g/mol
LogP-1.79
Rot. Bonds4

About N'-(2,2-dimethoxyethyl)oxamide

N'-(2,2-dimethoxyethyl)oxamide (PubChem CID 2774688) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is N'-(2,2-dimethoxyethyl)oxamide.

Molecular Properties

Compound NameN'-(2,2-dimethoxyethyl)oxamide
PubChem CID2774688
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC NameN'-(2,2-dimethoxyethyl)oxamide
SMILESCOC(CNC(=O)C(N)=O)OC
InChIInChI=1S/C6H12N2O4/c1-11-4(12-2)3-8-6(10)5(7)9/h4H,3H2,1-2H3,(H2,7,9)(H,8,10)
InChIKeySEDMUCLYVKEAGO-UHFFFAOYSA-N
XLogP-1.79
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-1.79
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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Related Compounds

Methyl glycylglycylglycinate
CID 273332
Methyl {[(acetylamino)acetyl]amino}acetate
CID 4341981
N-(2,2-dimethoxyethyl)-2-isocyanoacetamide
CID 108814821
N-(2,2-dimethoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261186
N-[2-(2,2-dimethoxyethylamino)-2-oxoethyl]-2,2,2-trifluoroacetamide
CID 84426040
N-(2-methoxyethyl)-2-(methylamino)acetamide
CID 7131125
2-amino-N-(2-methoxyethyl)acetamide
CID 7131326
[(2,2-Dimethoxy-ethylaminooxalyl)-amino]-acetic acid ethyl ester
CID 9899933
N-ethyl-N'-(2,2-diethoxyethyl)oxamide
CID 13366331
N-(2,2-Diethoxyethyl)-N'-methyl-ethanediamide
CID 13366332
N-(2,2-Dimethoxyethyl)acetamide
CID 15289457
N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide
CID 18741303

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethoxyethyl)oxamide?
The IUPAC name of N'-(2,2-dimethoxyethyl)oxamide (CID 2774688) is N'-(2,2-dimethoxyethyl)oxamide.
What is the SMILES notation for N'-(2,2-dimethoxyethyl)oxamide?
The canonical SMILES for N'-(2,2-dimethoxyethyl)oxamide is COC(CNC(=O)C(N)=O)OC.
What is the InChIKey of N'-(2,2-dimethoxyethyl)oxamide?
The InChIKey is SEDMUCLYVKEAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4/c1-11-4(12-2)3-8-6(10)5(7)9/h4H,3H2,1-2H3,(H2,7,9)(H,8,10).
What are the key properties of N'-(2,2-dimethoxyethyl)oxamide?
N'-(2,2-dimethoxyethyl)oxamide has a molecular weight of 176.17 g/mol, XLogP of -1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethoxyethyl)oxamide is sourced from PubChem (CID 2774688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).