2-[3-(ethylaminomethyl)indol-1-yl]acetamide

C13H17N3O — CID 66409295

IUPAC2-[3-(ethylaminomethyl)indol-1-yl]acetamide
SMILESCCNCc1cn(CC(N)=O)c2ccccc12
InChIInChI=1S/C13H17N3O/c1-2-15-7-10-8-16(9-13(14)17)12-6-4-3-5-11(10)12/h3-6,8,15H,2,7,9H2,1H3,(H2,14,17)
InChIKeyXKNREIDTSTWEAW-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.24
Rot. Bonds5

About 2-[3-(ethylaminomethyl)indol-1-yl]acetamide

2-[3-(ethylaminomethyl)indol-1-yl]acetamide (PubChem CID 66409295) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[3-(ethylaminomethyl)indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(ethylaminomethyl)indol-1-yl]acetamide
PubChem CID66409295
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[3-(ethylaminomethyl)indol-1-yl]acetamide
SMILESCCNCc1cn(CC(N)=O)c2ccccc12
InChIInChI=1S/C13H17N3O/c1-2-15-7-10-8-16(9-13(14)17)12-6-4-3-5-11(10)12/h3-6,8,15H,2,7,9H2,1H3,(H2,14,17)
InChIKeyXKNREIDTSTWEAW-UHFFFAOYSA-N
XLogP1.24
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(ethylaminomethyl)indol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409526
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741
N-methyl-2-[3-(propylaminomethyl)indol-1-yl]acetamide
CID 66410167
2-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylethanamine
CID 66409955
3-[3-(methylaminomethyl)indol-1-yl]propanamide
CID 66407765
N-[[1-(pyrimidin-2-ylmethyl)indol-3-yl]methyl]ethanamine
CID 66409737
3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 71025575
N-[[1-(2-pyridin-2-ylethyl)indol-3-yl]methyl]ethanamine
CID 66409305
2-methyl-3-[3-[(2-methylpropylamino)methyl]indol-1-yl]propanamide
CID 66400947
N-ethyl-2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
CID 66407991
2-(3-methylsulfanylindol-1-yl)acetamide
CID 165122763
N,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide
CID 66408422

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylaminomethyl)indol-1-yl]acetamide?
The IUPAC name of 2-[3-(ethylaminomethyl)indol-1-yl]acetamide (CID 66409295) is 2-[3-(ethylaminomethyl)indol-1-yl]acetamide.
What is the SMILES notation for 2-[3-(ethylaminomethyl)indol-1-yl]acetamide?
The canonical SMILES for 2-[3-(ethylaminomethyl)indol-1-yl]acetamide is CCNCc1cn(CC(N)=O)c2ccccc12.
What is the InChIKey of 2-[3-(ethylaminomethyl)indol-1-yl]acetamide?
The InChIKey is XKNREIDTSTWEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-15-7-10-8-16(9-13(14)17)12-6-4-3-5-11(10)12/h3-6,8,15H,2,7,9H2,1H3,(H2,14,17).
What are the key properties of 2-[3-(ethylaminomethyl)indol-1-yl]acetamide?
2-[3-(ethylaminomethyl)indol-1-yl]acetamide has a molecular weight of 231.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylaminomethyl)indol-1-yl]acetamide is sourced from PubChem (CID 66409295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).