N-[2-(dimethylamino)ethyl]-2-oxoacetamide

C6H12N2O2 — CID 21031055

IUPACN-[2-(dimethylamino)ethyl]-2-oxoacetamide
SMILESCN(C)CCNC(=O)C=O
InChIInChI=1S/C6H12N2O2/c1-8(2)4-3-7-6(10)5-9/h5H,3-4H2,1-2H3,(H,7,10)
InChIKeyOTLMCELSZQSZTC-UHFFFAOYSA-N
MW144.17 g/mol
LogP-1.14
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-2-oxoacetamide

N-[2-(dimethylamino)ethyl]-2-oxoacetamide (PubChem CID 21031055) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-oxoacetamide
PubChem CID21031055
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC NameN-[2-(dimethylamino)ethyl]-2-oxoacetamide
SMILESCN(C)CCNC(=O)C=O
InChIInChI=1S/C6H12N2O2/c1-8(2)4-3-7-6(10)5-9/h5H,3-4H2,1-2H3,(H,7,10)
InChIKeyOTLMCELSZQSZTC-UHFFFAOYSA-N
XLogP-1.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-oxoacetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-oxoacetamide (CID 21031055) is N-[2-(dimethylamino)ethyl]-2-oxoacetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-oxoacetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-oxoacetamide is CN(C)CCNC(=O)C=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-oxoacetamide?
The InChIKey is OTLMCELSZQSZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-8(2)4-3-7-6(10)5-9/h5H,3-4H2,1-2H3,(H,7,10).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-oxoacetamide?
N-[2-(dimethylamino)ethyl]-2-oxoacetamide has a molecular weight of 144.17 g/mol, XLogP of -1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-oxoacetamide is sourced from PubChem (CID 21031055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).