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

C16H23N3O — CID 66408422

IUPACN,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1cc(CNC)c2ccccc21
InChIInChI=1S/C16H23N3O/c1-4-18(5-2)16(20)12-19-11-13(10-17-3)14-8-6-7-9-15(14)19/h6-9,11,17H,4-5,10,12H2,1-3H3
InChIKeyIQXDLRDQZMNNDF-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.23
Rot. Bonds6

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

N,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide (PubChem CID 66408422) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide
PubChem CID66408422
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1cc(CNC)c2ccccc21
InChIInChI=1S/C16H23N3O/c1-4-18(5-2)16(20)12-19-11-13(10-17-3)14-8-6-7-9-15(14)19/h6-9,11,17H,4-5,10,12H2,1-3H3
InChIKeyIQXDLRDQZMNNDF-UHFFFAOYSA-N
XLogP2.23
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409526
3-[3-(methylaminomethyl)indol-1-yl]propanamide
CID 66407765
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide
CID 4248908
2-[3-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
CID 66408650
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
N,N-diethyl-2-[3-[2-(methylamino)-2-oxoethyl]sulfonylindol-1-yl]acetamide
CID 7489774
2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902366
4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol
CID 113399056
N-[(2-chlorophenyl)methyl]-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
CID 4052226
2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409295
2-[3-(2-aminoethyl)indol-1-yl]-N-ethyl-N-methylacetamide
CID 63156515

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide (CID 66408422) is N,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide is CCN(CC)C(=O)Cn1cc(CNC)c2ccccc21.
What is the InChIKey of N,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide?
The InChIKey is IQXDLRDQZMNNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-18(5-2)16(20)12-19-11-13(10-17-3)14-8-6-7-9-15(14)19/h6-9,11,17H,4-5,10,12H2,1-3H3.
What are the key properties of N,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide?
N,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide has a molecular weight of 273.38 g/mol, XLogP of 2.23, 6 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-(methylaminomethyl)indol-1-yl]acetamide is sourced from PubChem (CID 66408422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).