2-(1,2-dimethylindol-3-yl)propanamide

C13H16N2O — CID 20667705

IUPAC2-(1,2-dimethylindol-3-yl)propanamide
SMILESCc1c(C(C)C(N)=O)c2ccccc2n1C
InChIInChI=1S/C13H16N2O/c1-8(13(14)16)12-9(2)15(3)11-7-5-4-6-10(11)12/h4-8H,1-3H3,(H2,14,16)
InChIKeyBJGKTFGEAAIVDK-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.08
Rot. Bonds2

About 2-(1,2-dimethylindol-3-yl)propanamide

2-(1,2-dimethylindol-3-yl)propanamide (PubChem CID 20667705) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)propanamide.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)propanamide
PubChem CID20667705
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-(1,2-dimethylindol-3-yl)propanamide
SMILESCc1c(C(C)C(N)=O)c2ccccc2n1C
InChIInChI=1S/C13H16N2O/c1-8(13(14)16)12-9(2)15(3)11-7-5-4-6-10(11)12/h4-8H,1-3H3,(H2,14,16)
InChIKeyBJGKTFGEAAIVDK-UHFFFAOYSA-N
XLogP2.08
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol
CID 95438701
2-(1,2-dimethylindol-3-yl)-2-(methylamino)acetic acid
CID 82475185
methyl 2-(1,2-dimethylindol-3-yl)-3,3,3-trifluoropropanoate
CID 75530069
1-(1,2-dimethylindol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82294925
2-(1,2-dimethylindol-3-yl)acetamide
CID 67627690
2-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylacetic acid
CID 82488583
2-(cyclopropylamino)-2-(1,2-dimethylindol-3-yl)acetic acid
CID 82483496
ethane;tris(ethane-1,1-diol);tris(1,2,3-trimethylindole)
CID 160660144
2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine
CID 82285579
cyclobutyl-(1,2-dimethylindol-3-yl)methanamine
CID 82288284
methyl (2R,3R)-3-(1,2-dimethylindol-3-yl)-2-(phenylmethoxycarbonylamino)butanoate
CID 14152083
3-cyclobutyl-3-(1,2-dimethylindol-3-yl)propanoic acid
CID 82277340

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-3-yl)propanamide?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)propanamide (CID 20667705) is 2-(1,2-dimethylindol-3-yl)propanamide.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)propanamide?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)propanamide is Cc1c(C(C)C(N)=O)c2ccccc2n1C.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)propanamide?
The InChIKey is BJGKTFGEAAIVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8(13(14)16)12-9(2)15(3)11-7-5-4-6-10(11)12/h4-8H,1-3H3,(H2,14,16).
What are the key properties of 2-(1,2-dimethylindol-3-yl)propanamide?
2-(1,2-dimethylindol-3-yl)propanamide has a molecular weight of 216.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-3-yl)propanamide is sourced from PubChem (CID 20667705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).