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

C17H25N3O — CID 66409526

IUPACN,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide
SMILESCCNCc1cn(CC(=O)N(CC)CC)c2ccccc12
InChIInChI=1S/C17H25N3O/c1-4-18-11-14-12-20(13-17(21)19(5-2)6-3)16-10-8-7-9-15(14)16/h7-10,12,18H,4-6,11,13H2,1-3H3
InChIKeyLRTIABUYYMMKQU-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.62
Rot. Bonds7

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

N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide (PubChem CID 66409526) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide
PubChem CID66409526
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide
SMILESCCNCc1cn(CC(=O)N(CC)CC)c2ccccc12
InChIInChI=1S/C17H25N3O/c1-4-18-11-14-12-20(13-17(21)19(5-2)6-3)16-10-8-7-9-15(14)16/h7-10,12,18H,4-6,11,13H2,1-3H3
InChIKeyLRTIABUYYMMKQU-UHFFFAOYSA-N
XLogP2.62
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide
CID 66408422
2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409295
2-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylethanamine
CID 66409955
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741
3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 71025575
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide
CID 4248908
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 4248907
2-[3-[(cyclopropylamino)methyl]indol-1-yl]-N-ethyl-N-methylacetamide
CID 66403280
2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902366
N-methyl-2-[3-(propylaminomethyl)indol-1-yl]acetamide
CID 66410167
N-[[1-(2-pyridin-2-ylethyl)indol-3-yl]methyl]ethanamine
CID 66409305
N-[(2-chlorophenyl)methyl]-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
CID 4052226

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide (CID 66409526) is N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide is CCNCc1cn(CC(=O)N(CC)CC)c2ccccc12.
What is the InChIKey of N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide?
The InChIKey is LRTIABUYYMMKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-18-11-14-12-20(13-17(21)19(5-2)6-3)16-10-8-7-9-15(14)16/h7-10,12,18H,4-6,11,13H2,1-3H3.
What are the key properties of N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide?
N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide has a molecular weight of 287.41 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide is sourced from PubChem (CID 66409526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).