3-acetamido-N-methylpropanamide

C6H12N2O2 — CID 20707763

IUPAC3-acetamido-N-methylpropanamide
SMILESCNC(=O)CCNC(C)=O
InChIInChI=1S/C6H12N2O2/c1-5(9)8-4-3-6(10)7-2/h3-4H2,1-2H3,(H,7,10)(H,8,9)
InChIKeyXPPFXFIWFCXUDA-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.74
Rot. Bonds3

About 3-acetamido-N-methylpropanamide

3-acetamido-N-methylpropanamide (PubChem CID 20707763) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-acetamido-N-methylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-methylpropanamide
PubChem CID20707763
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name3-acetamido-N-methylpropanamide
SMILESCNC(=O)CCNC(C)=O
InChIInChI=1S/C6H12N2O2/c1-5(9)8-4-3-6(10)7-2/h3-4H2,1-2H3,(H,7,10)(H,8,9)
InChIKeyXPPFXFIWFCXUDA-UHFFFAOYSA-N
XLogP-0.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-methylpropanamide?
The IUPAC name of 3-acetamido-N-methylpropanamide (CID 20707763) is 3-acetamido-N-methylpropanamide.
What is the SMILES notation for 3-acetamido-N-methylpropanamide?
The canonical SMILES for 3-acetamido-N-methylpropanamide is CNC(=O)CCNC(C)=O.
What is the InChIKey of 3-acetamido-N-methylpropanamide?
The InChIKey is XPPFXFIWFCXUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-5(9)8-4-3-6(10)7-2/h3-4H2,1-2H3,(H,7,10)(H,8,9).
What are the key properties of 3-acetamido-N-methylpropanamide?
3-acetamido-N-methylpropanamide has a molecular weight of 144.17 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-methylpropanamide is sourced from PubChem (CID 20707763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).