2-[3-(2-aminoethyl)-2-methylindol-1-yl]acetamide

C13H17N3O — CID 54594673

IUPAC2-[3-(2-aminoethyl)-2-methylindol-1-yl]acetamide
SMILESCc1c(CCN)c2ccccc2n1CC(N)=O
InChIInChI=1S/C13H17N3O/c1-9-10(6-7-14)11-4-2-3-5-12(11)16(9)8-13(15)17/h2-5H,6-8,14H2,1H3,(H2,15,17)
InChIKeyUUWKCNLEIHACRC-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.94
Rot. Bonds4

About 2-[3-(2-aminoethyl)-2-methylindol-1-yl]acetamide

2-[3-(2-aminoethyl)-2-methylindol-1-yl]acetamide (PubChem CID 54594673) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)-2-methylindol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)-2-methylindol-1-yl]acetamide
PubChem CID54594673
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[3-(2-aminoethyl)-2-methylindol-1-yl]acetamide
SMILESCc1c(CCN)c2ccccc2n1CC(N)=O
InChIInChI=1S/C13H17N3O/c1-9-10(6-7-14)11-4-2-3-5-12(11)16(9)8-13(15)17/h2-5H,6-8,14H2,1H3,(H2,15,17)
InChIKeyUUWKCNLEIHACRC-UHFFFAOYSA-N
XLogP0.94
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 163999461
CID 163999461
2-(1-hydroxy-2-methylindol-3-yl)ethanamine
CID 174625150
2-[2-methyl-3-[[2-(methylsulfamoyl)ethylamino]methyl]indol-1-yl]acetamide
CID 56756587
2-[3-[[2-(benzotriazol-1-yl)ethylamino]methyl]-2-methylindol-1-yl]acetamide
CID 46984032
2-(2-methyl-1-phenylindol-3-yl)ethanamine
CID 744625
methyl 2-[[1-(2-amino-2-oxoethyl)-2-methylindol-3-yl]methylamino]-2-(3-methylphenyl)acetate
CID 46991508
3-[1-(2-methoxyethyl)-2-methylindol-3-yl]propan-1-amine
CID 170868097
[3-(2-aminoethyl)-2-methylindol-1-yl]-(1H-indol-7-yl)methanone
CID 112529811
2-[2-methyl-3-[[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethylamino]methyl]indol-1-yl]acetamide
CID 46988276
2-(1,2-dimethylindol-3-yl)acetamide
CID 67627690
2-(2,4-dioxoquinazolin-1-yl)acetamide
CID 155322960
3-[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]propan-1-amine
CID 170878721

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)-2-methylindol-1-yl]acetamide?
The IUPAC name of 2-[3-(2-aminoethyl)-2-methylindol-1-yl]acetamide (CID 54594673) is 2-[3-(2-aminoethyl)-2-methylindol-1-yl]acetamide.
What is the SMILES notation for 2-[3-(2-aminoethyl)-2-methylindol-1-yl]acetamide?
The canonical SMILES for 2-[3-(2-aminoethyl)-2-methylindol-1-yl]acetamide is Cc1c(CCN)c2ccccc2n1CC(N)=O.
What is the InChIKey of 2-[3-(2-aminoethyl)-2-methylindol-1-yl]acetamide?
The InChIKey is UUWKCNLEIHACRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-10(6-7-14)11-4-2-3-5-12(11)16(9)8-13(15)17/h2-5H,6-8,14H2,1H3,(H2,15,17).
What are the key properties of 2-[3-(2-aminoethyl)-2-methylindol-1-yl]acetamide?
2-[3-(2-aminoethyl)-2-methylindol-1-yl]acetamide has a molecular weight of 231.30 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)-2-methylindol-1-yl]acetamide is sourced from PubChem (CID 54594673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).