N,N'-bis(2-hydroxyethyl)-N,N'-dimethyloxamide

C8H16N2O4 — CID 5117069

IUPACN,N'-bis(2-hydroxyethyl)-N,N'-dimethyloxamide
SMILESCN(CCO)C(=O)C(=O)N(C)CCO
InChIInChI=1S/C8H16N2O4/c1-9(3-5-11)7(13)8(14)10(2)4-6-12/h11-12H,3-6H2,1-2H3
InChIKeyDRXKWXIZYKRZMR-UHFFFAOYSA-N
MW204.23 g/mol
LogP-2.11
Rot. Bonds4

About N,N'-bis(2-hydroxyethyl)-N,N'-dimethyloxamide

N,N'-bis(2-hydroxyethyl)-N,N'-dimethyloxamide (PubChem CID 5117069) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is N,N'-bis(2-hydroxyethyl)-N,N'-dimethyloxamide.

Molecular Properties

Compound NameN,N'-bis(2-hydroxyethyl)-N,N'-dimethyloxamide
PubChem CID5117069
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC NameN,N'-bis(2-hydroxyethyl)-N,N'-dimethyloxamide
SMILESCN(CCO)C(=O)C(=O)N(C)CCO
InChIInChI=1S/C8H16N2O4/c1-9(3-5-11)7(13)8(14)10(2)4-6-12/h11-12H,3-6H2,1-2H3
InChIKeyDRXKWXIZYKRZMR-UHFFFAOYSA-N
XLogP-2.11
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-2.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-hydroxyethyl)-N,N'-dimethyloxamide?
The IUPAC name of N,N'-bis(2-hydroxyethyl)-N,N'-dimethyloxamide (CID 5117069) is N,N'-bis(2-hydroxyethyl)-N,N'-dimethyloxamide.
What is the SMILES notation for N,N'-bis(2-hydroxyethyl)-N,N'-dimethyloxamide?
The canonical SMILES for N,N'-bis(2-hydroxyethyl)-N,N'-dimethyloxamide is CN(CCO)C(=O)C(=O)N(C)CCO.
What is the InChIKey of N,N'-bis(2-hydroxyethyl)-N,N'-dimethyloxamide?
The InChIKey is DRXKWXIZYKRZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-9(3-5-11)7(13)8(14)10(2)4-6-12/h11-12H,3-6H2,1-2H3.
What are the key properties of N,N'-bis(2-hydroxyethyl)-N,N'-dimethyloxamide?
N,N'-bis(2-hydroxyethyl)-N,N'-dimethyloxamide has a molecular weight of 204.23 g/mol, XLogP of -2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-hydroxyethyl)-N,N'-dimethyloxamide is sourced from PubChem (CID 5117069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).