N-methylpropanamide;2-methylpropanamide

C8H18N2O2 — CID 139434257

IUPACN-methylpropanamide;2-methylpropanamide
SMILESCC(C)C(N)=O.CCC(=O)NC
InChIInChI=1S/2C4H9NO/c1-3-4(6)5-2;1-3(2)4(5)6/h3H2,1-2H3,(H,5,6);3H,1-2H3,(H2,5,6)
InChIKeyUVLPVUDFQWFPGL-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.27
Rot. Bonds2

About N-methylpropanamide;2-methylpropanamide

N-methylpropanamide;2-methylpropanamide (PubChem CID 139434257) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is N-methylpropanamide;2-methylpropanamide.

Molecular Properties

Compound NameN-methylpropanamide;2-methylpropanamide
PubChem CID139434257
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC NameN-methylpropanamide;2-methylpropanamide
SMILESCC(C)C(N)=O.CCC(=O)NC
InChIInChI=1S/2C4H9NO/c1-3-4(6)5-2;1-3(2)4(5)6/h3H2,1-2H3,(H,5,6);3H,1-2H3,(H2,5,6)
InChIKeyUVLPVUDFQWFPGL-UHFFFAOYSA-N
XLogP0.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methylpropanamide;2-methylpropanamide?
The IUPAC name of N-methylpropanamide;2-methylpropanamide (CID 139434257) is N-methylpropanamide;2-methylpropanamide.
What is the SMILES notation for N-methylpropanamide;2-methylpropanamide?
The canonical SMILES for N-methylpropanamide;2-methylpropanamide is CC(C)C(N)=O.CCC(=O)NC.
What is the InChIKey of N-methylpropanamide;2-methylpropanamide?
The InChIKey is UVLPVUDFQWFPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9NO/c1-3-4(6)5-2;1-3(2)4(5)6/h3H2,1-2H3,(H,5,6);3H,1-2H3,(H2,5,6).
What are the key properties of N-methylpropanamide;2-methylpropanamide?
N-methylpropanamide;2-methylpropanamide has a molecular weight of 174.24 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpropanamide;2-methylpropanamide is sourced from PubChem (CID 139434257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).