2,2-diacetylpropanediamide

C7H10N2O4 — CID 21185468

IUPAC2,2-diacetylpropanediamide
SMILESCC(=O)C(C(C)=O)(C(N)=O)C(N)=O
InChIInChI=1S/C7H10N2O4/c1-3(10)7(4(2)11,5(8)12)6(9)13/h1-2H3,(H2,8,12)(H2,9,13)
InChIKeyJJGKIBVWLHRDII-UHFFFAOYSA-N
MW186.17 g/mol
LogP-1.88
Rot. Bonds4

About 2,2-diacetylpropanediamide

2,2-diacetylpropanediamide (PubChem CID 21185468) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 2,2-diacetylpropanediamide.

Molecular Properties

Compound Name2,2-diacetylpropanediamide
PubChem CID21185468
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name2,2-diacetylpropanediamide
SMILESCC(=O)C(C(C)=O)(C(N)=O)C(N)=O
InChIInChI=1S/C7H10N2O4/c1-3(10)7(4(2)11,5(8)12)6(9)13/h1-2H3,(H2,8,12)(H2,9,13)
InChIKeyJJGKIBVWLHRDII-UHFFFAOYSA-N
XLogP-1.88
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diacetylpropanediamide?
The IUPAC name of 2,2-diacetylpropanediamide (CID 21185468) is 2,2-diacetylpropanediamide.
What is the SMILES notation for 2,2-diacetylpropanediamide?
The canonical SMILES for 2,2-diacetylpropanediamide is CC(=O)C(C(C)=O)(C(N)=O)C(N)=O.
What is the InChIKey of 2,2-diacetylpropanediamide?
The InChIKey is JJGKIBVWLHRDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-3(10)7(4(2)11,5(8)12)6(9)13/h1-2H3,(H2,8,12)(H2,9,13).
What are the key properties of 2,2-diacetylpropanediamide?
2,2-diacetylpropanediamide has a molecular weight of 186.17 g/mol, XLogP of -1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diacetylpropanediamide is sourced from PubChem (CID 21185468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).