3-indol-1-yl-2-methylpropanamide

C12H14N2O — CID 63811423

IUPAC3-indol-1-yl-2-methylpropanamide
SMILESCC(Cn1ccc2ccccc21)C(N)=O
InChIInChI=1S/C12H14N2O/c1-9(12(13)15)8-14-7-6-10-4-2-3-5-11(10)14/h2-7,9H,8H2,1H3,(H2,13,15)
InChIKeyOUVIJINAMAROMF-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.76
Rot. Bonds3

About 3-indol-1-yl-2-methylpropanamide

3-indol-1-yl-2-methylpropanamide (PubChem CID 63811423) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-indol-1-yl-2-methylpropanamide.

Molecular Properties

Compound Name3-indol-1-yl-2-methylpropanamide
PubChem CID63811423
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-indol-1-yl-2-methylpropanamide
SMILESCC(Cn1ccc2ccccc21)C(N)=O
InChIInChI=1S/C12H14N2O/c1-9(12(13)15)8-14-7-6-10-4-2-3-5-11(10)14/h2-7,9H,8H2,1H3,(H2,13,15)
InChIKeyOUVIJINAMAROMF-UHFFFAOYSA-N
XLogP1.76
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloroindol-1-yl)-2-methylpropanamide
CID 116623102
3-(5-fluoroindol-1-yl)-2-methylpropanamide
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1-indol-1-ylpropan-2-amine
CID 20806570
3-(5-cyanoindol-1-yl)-2-methylpropanamide
CID 107920443
(2S)-3-indol-1-yl-2-methylpropan-1-ol
CID 139469635
(2S,3S)-1,4-di(indol-1-yl)butane-2,3-diol
CID 131853579
sodium 3-indol-1-yl-2-(indol-1-ylmethyl)propanoate
CID 100988913
2-methyl-3-[7-(methylaminomethyl)indol-1-yl]propanamide
CID 102913928
1-amino-3-indol-1-ylpropan-2-ol
CID 66799372
1-indol-1-yl-N,N-dimethylpropan-2-amine
CID 154694251
(2R)-1-amino-3-indol-1-ylpropan-2-ol
CID 59762071
3-(benzimidazol-1-yl)-2-methylpropanamide
CID 112688309

Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-2-methylpropanamide?
The IUPAC name of 3-indol-1-yl-2-methylpropanamide (CID 63811423) is 3-indol-1-yl-2-methylpropanamide.
What is the SMILES notation for 3-indol-1-yl-2-methylpropanamide?
The canonical SMILES for 3-indol-1-yl-2-methylpropanamide is CC(Cn1ccc2ccccc21)C(N)=O.
What is the InChIKey of 3-indol-1-yl-2-methylpropanamide?
The InChIKey is OUVIJINAMAROMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9(12(13)15)8-14-7-6-10-4-2-3-5-11(10)14/h2-7,9H,8H2,1H3,(H2,13,15).
What are the key properties of 3-indol-1-yl-2-methylpropanamide?
3-indol-1-yl-2-methylpropanamide has a molecular weight of 202.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-2-methylpropanamide is sourced from PubChem (CID 63811423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).