2-methylpropanamide;dihydrochloride

C4H11Cl2NO — CID 22142056

IUPAC2-methylpropanamide;dihydrochloride
SMILESCC(C)C(N)=O.Cl.Cl
InChIInChI=1S/C4H9NO.2ClH/c1-3(2)4(5)6;;/h3H,1-2H3,(H2,5,6);2*1H
InChIKeyPQSQBXGSIRXRFL-UHFFFAOYSA-N
MW160.04 g/mol
LogP0.97
Rot. Bonds1

About 2-methylpropanamide;dihydrochloride

2-methylpropanamide;dihydrochloride (PubChem CID 22142056) has the molecular formula C4H11Cl2NO and a molecular weight of 160.04 g/mol. Its IUPAC name is 2-methylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-methylpropanamide;dihydrochloride
PubChem CID22142056
Molecular FormulaC4H11Cl2NO
Molecular Weight160.04 g/mol
Exact Mass159.02
IUPAC Name2-methylpropanamide;dihydrochloride
SMILESCC(C)C(N)=O.Cl.Cl
InChIInChI=1S/C4H9NO.2ClH/c1-3(2)4(5)6;;/h3H,1-2H3,(H2,5,6);2*1H
InChIKeyPQSQBXGSIRXRFL-UHFFFAOYSA-N
XLogP0.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.04
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropanamide;dihydrochloride?
The IUPAC name of 2-methylpropanamide;dihydrochloride (CID 22142056) is 2-methylpropanamide;dihydrochloride.
What is the SMILES notation for 2-methylpropanamide;dihydrochloride?
The canonical SMILES for 2-methylpropanamide;dihydrochloride is CC(C)C(N)=O.Cl.Cl.
What is the InChIKey of 2-methylpropanamide;dihydrochloride?
The InChIKey is PQSQBXGSIRXRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.2ClH/c1-3(2)4(5)6;;/h3H,1-2H3,(H2,5,6);2*1H.
What are the key properties of 2-methylpropanamide;dihydrochloride?
2-methylpropanamide;dihydrochloride has a molecular weight of 160.04 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanamide;dihydrochloride is sourced from PubChem (CID 22142056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).