2-acetamidoacetamide

C4H8N2O2 — CID 28326

IUPAC2-acetamidoacetamide
SMILESCC(=O)NCC(N)=O
InChIInChI=1S/C4H8N2O2/c1-3(7)6-2-4(5)8/h2H2,1H3,(H2,5,8)(H,6,7)
InChIKeyWQELDIQOHGAHEM-UHFFFAOYSA-N
MW116.12 g/mol
LogP-1.39
Rot. Bonds2

About 2-acetamidoacetamide

2-acetamidoacetamide (PubChem CID 28326) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 2-acetamidoacetamide.

Molecular Properties

Compound Name2-acetamidoacetamide
PubChem CID28326
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name2-acetamidoacetamide
SMILESCC(=O)NCC(N)=O
InChIInChI=1S/C4H8N2O2/c1-3(7)6-2-4(5)8/h2H2,1H3,(H2,5,8)(H,6,7)
InChIKeyWQELDIQOHGAHEM-UHFFFAOYSA-N
XLogP-1.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-acetamidoacetamide?
The IUPAC name of 2-acetamidoacetamide (CID 28326) is 2-acetamidoacetamide.
What is the SMILES notation for 2-acetamidoacetamide?
The canonical SMILES for 2-acetamidoacetamide is CC(=O)NCC(N)=O.
What is the InChIKey of 2-acetamidoacetamide?
The InChIKey is WQELDIQOHGAHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-3(7)6-2-4(5)8/h2H2,1H3,(H2,5,8)(H,6,7).
What are the key properties of 2-acetamidoacetamide?
2-acetamidoacetamide has a molecular weight of 116.12 g/mol, XLogP of -1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoacetamide is sourced from PubChem (CID 28326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).