2-(2,6-dimethyl-1H-indol-3-yl)acetamide

C12H14N2O — CID 82491600

IUPAC2-(2,6-dimethyl-1H-indol-3-yl)acetamide
SMILESCc1ccc2c(CC(N)=O)c(C)[nH]c2c1
InChIInChI=1S/C12H14N2O/c1-7-3-4-9-10(6-12(13)15)8(2)14-11(9)5-7/h3-5,14H,6H2,1-2H3,(H2,13,15)
InChIKeyDJPQMVRJOBXDAH-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.81
Rot. Bonds2

About 2-(2,6-dimethyl-1H-indol-3-yl)acetamide

2-(2,6-dimethyl-1H-indol-3-yl)acetamide (PubChem CID 82491600) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(2,6-dimethyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-1H-indol-3-yl)acetamide
PubChem CID82491600
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-(2,6-dimethyl-1H-indol-3-yl)acetamide
SMILESCc1ccc2c(CC(N)=O)c(C)[nH]c2c1
InChIInChI=1S/C12H14N2O/c1-7-3-4-9-10(6-12(13)15)8(2)14-11(9)5-7/h3-5,14H,6H2,1-2H3,(H2,13,15)
InChIKeyDJPQMVRJOBXDAH-UHFFFAOYSA-N
XLogP1.81
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.81
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-(6-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 70238324
methyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate
CID 54107367
(2,6-dimethyl-1H-indol-3-yl)methanamine
CID 82411351
3-(2-amino-6-methyl-1H-indol-3-yl)propanamide
CID 168834316
3-(chloromethyl)-2,6-dimethyl-1H-indole
CID 130049399
2-(6-methyl-3-phenylsulfanyl-1H-indol-2-yl)acetamide
CID 90480442
1-(2,6-dimethyl-1H-indol-3-yl)ethanone
CID 51342127
2-[3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]acetamide
CID 90480445
azane;2-(6-methyl-1H-indol-3-yl)acetamide;2-(6-methyl-1H-indol-3-yl)acetic acid;hydrate
CID 160800096
methyl 2,6-dimethyl-1H-indole-3-carboxylate
CID 74890490
3-(6-bromo-2-methyl-1H-indol-3-yl)propanoic acid
CID 28806785
4-(6-fluoro-2-methyl-1H-indol-3-yl)butan-2-one
CID 82493826

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-1H-indol-3-yl)acetamide?
The IUPAC name of 2-(2,6-dimethyl-1H-indol-3-yl)acetamide (CID 82491600) is 2-(2,6-dimethyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-1H-indol-3-yl)acetamide?
The canonical SMILES for 2-(2,6-dimethyl-1H-indol-3-yl)acetamide is Cc1ccc2c(CC(N)=O)c(C)[nH]c2c1.
What is the InChIKey of 2-(2,6-dimethyl-1H-indol-3-yl)acetamide?
The InChIKey is DJPQMVRJOBXDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-7-3-4-9-10(6-12(13)15)8(2)14-11(9)5-7/h3-5,14H,6H2,1-2H3,(H2,13,15).
What are the key properties of 2-(2,6-dimethyl-1H-indol-3-yl)acetamide?
2-(2,6-dimethyl-1H-indol-3-yl)acetamide has a molecular weight of 202.26 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 82491600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).