2-methylpropanamide

C8H18N2O2 — CID 88724081

IUPAC2-methylpropanamide
SMILESCC(C)C(N)=O.CC(C)C(N)=O
InChIInChI=1S/2C4H9NO/c2*1-3(2)4(5)6/h2*3H,1-2H3,(H2,5,6)
InChIKeyZETBDNNBXMTTLZ-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.26
Rot. Bonds2

About 2-methylpropanamide

2-methylpropanamide (PubChem CID 88724081) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-methylpropanamide.

Molecular Properties

Compound Name2-methylpropanamide
PubChem CID88724081
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-methylpropanamide
SMILESCC(C)C(N)=O.CC(C)C(N)=O
InChIInChI=1S/2C4H9NO/c2*1-3(2)4(5)6/h2*3H,1-2H3,(H2,5,6)
InChIKeyZETBDNNBXMTTLZ-UHFFFAOYSA-N
XLogP0.26
TPSA86.18 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 ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Isobutyramide
CID 68424
Acetamide propionamide
CID 18401246
2-Methyl-d3-propionic-3,3,3-d3-amide
CID 45039886
Platinum, dichlorobis(2-methylpropanamide-O)-
CID 426221
2-Methylpropanamide;dihydrate
CID 19043645
N,N-dimethylacetamide;2-methylpropanamide
CID 19931526
2-Methylpropanamide;propanamide
CID 20205713
2-Methylpropanamide;hydrate
CID 21702895
CID 53428402
CID 53428402
2,3,3,3-Tetradeuterio-2-methylpropanamide
CID 58475037
2-(Methyl-d3)propanamide
CID 59317331
2-Deuterio-2-methylpropanamide
CID 59872545

Frequently Asked Questions

What is the IUPAC name of 2-methylpropanamide?
The IUPAC name of 2-methylpropanamide (CID 88724081) is 2-methylpropanamide.
What is the SMILES notation for 2-methylpropanamide?
The canonical SMILES for 2-methylpropanamide is CC(C)C(N)=O.CC(C)C(N)=O.
What is the InChIKey of 2-methylpropanamide?
The InChIKey is ZETBDNNBXMTTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9NO/c2*1-3(2)4(5)6/h2*3H,1-2H3,(H2,5,6).
What are the key properties of 2-methylpropanamide?
2-methylpropanamide has a molecular weight of 174.24 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanamide is sourced from PubChem (CID 88724081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).