N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide

C13H16N2O — CID 26390650

IUPACN-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
SMILESCC(=O)NCc1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C13H16N2O/c1-8-9(2)15-13-5-4-11(6-12(8)13)7-14-10(3)16/h4-6,15H,7H2,1-3H3,(H,14,16)
InChIKeyIQUIXRQHCOLTGL-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.42
Rot. Bonds2

About N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide

N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide (PubChem CID 26390650) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
PubChem CID26390650
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
SMILESCC(=O)NCc1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C13H16N2O/c1-8-9(2)15-13-5-4-11(6-12(8)13)7-14-10(3)16/h4-6,15H,7H2,1-3H3,(H,14,16)
InChIKeyIQUIXRQHCOLTGL-UHFFFAOYSA-N
XLogP2.42
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-phenylacetamide
CID 56552524
methyl 2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]propanoate
CID 45252183
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 119754604
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 26406442
methyl 3-(2,3-dimethyl-1H-indol-5-yl)propanoate
CID 116996350
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 25487904
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 95092760
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119937973
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
CID 48597038
N-[(2,3-dimethyl-1H-indol-5-yl)methyl-tritioamino]thiohydroxylamine
CID 129175801
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119754617
2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-[(4-methylphenyl)methyl]acetamide
CID 100638141

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide?
The IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide (CID 26390650) is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide.
What is the SMILES notation for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide?
The canonical SMILES for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide is CC(=O)NCc1ccc2[nH]c(C)c(C)c2c1.
What is the InChIKey of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide?
The InChIKey is IQUIXRQHCOLTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8-9(2)15-13-5-4-11(6-12(8)13)7-14-10(3)16/h4-6,15H,7H2,1-3H3,(H,14,16).
What are the key properties of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide?
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide has a molecular weight of 216.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide is sourced from PubChem (CID 26390650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).